ACCESSION: MSBNK-EPA-ENTACT_AGILENT000962
RECORD_TITLE: CP-409092; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-409092
CH$NAME: DTXSID2047276
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉N₃O₂
CH$EXACT_MASS: 297.1477268729
CH$SMILES: CNCC1C=CC(=CC=1)NC(=O)C1=CNC2CCCC(=O)C=21
CH$IUPAC: InChI=1S/C17H19N3O2/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22)
CH$LINK: CAS 194098-25-4
CH$LINK: INCHIKEY XFJIYNUISLDNLP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9839190

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 298.1550033246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0bt9-0900000000-ac7fff99fbcdf96d284e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  77.038577 3.700103 36
  79.054227 3.680107 36
  89.038577 1.603781 16
  90.046402 1.698759 16
  106.02874 2.561575 25
  106.065126 100.000002 999
  134.06004 5.201852 51
  162.054955 84.123166 840
  237.102239 1.383006 13
  250.110065 1.273534 12
  280.144439 1.350989 13
//