ACCESSION: MSBNK-EPA-ENTACT_AGILENT001578
RECORD_TITLE: PharmaGSID_48507; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: PharmaGSID_48507
CH$NAME: DTXSID0048507
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈F₂N₄O₃
CH$EXACT_MASS: 376.1346968707
CH$SMILES: CN1C(=O)C=C(OC2C=CC(F)=CC=2F)C2C=NC(NCC(C)(C)O)=NC1=2
CH$IUPAC: InChI=1S/C18H18F2N4O3/c1-18(2,26)9-22-17-21-8-11-14(7-15(25)24(3)16(11)23-17)27-13-5-4-10(19)6-12(13)20/h4-8,26H,9H2,1-3H3,(H,21,22,23)
CH$LINK: INCHIKEY KOKXXPKAPFSRCR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:60196436

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$FOCUSED_ION: PRECURSOR_M/Z 377.1419733224
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-0009000000-ccadc33e327f50f8507c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  215.092737 1.490608 14
  217.108387 2.880111 28
  245.103302 1.213223 12
  304.076633 4.003454 39
  305.084458 1.122636 11
  359.131409 100.000005 999
  377.141973 47.35991 473
//