ACCESSION: MSBNK-EPA-ENTACT_AGILENT002235
RECORD_TITLE: N,N-Dicyclohexyl-2-benzothiazolesulfenamide; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,N-Dicyclohexyl-2-benzothiazolesulfenamide
CH$NAME: DTXSID3027584
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₆N₂S₂
CH$EXACT_MASS: 346.1537403042
CH$SMILES: C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1
CH$IUPAC: InChI=1S/C19H26N2S2/c1-3-9-15(10-4-1)21(16-11-5-2-6-12-16)23-19-20-17-13-7-8-14-18(17)22-19/h7-8,13-16H,1-6,9-12H2
CH$LINK: CAS 4979-32-2
CH$LINK: INCHIKEY CMAUJSNXENPPOF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21080

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 347.1610167559
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-0910000000-2c3520c433761714d105
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  55.054227 2.626614 26
  56.049476 1.541574 15
  83.085527 6.481566 64
  98.096426 11.523821 115
  100.112076 12.811641 127
  125.119901 1.212723 12
  130.068497 1.043985 10
  138.127726 100.000002 999
  139.135551 1.385223 13
  152.143376 10.716273 107
  165.977967 7.901173 78
  180.174676 94.610057 945
  181.182501 79.863038 797
  183.004516 32.712522 326
  265.082766 52.409268 523
  347.161017 14.48101 144
//