For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-({4-[2-(2-Chloro-6-fluorophenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzoyl}amino)acetic acid
SpectraBase Compound ID DLOrPBWOQVb
InChI InChI=1S/C23H17ClFN3O4/c24-16-5-3-6-17(25)20(16)21-27-18-7-2-1-4-15(18)23(32)28(21)14-10-8-13(9-11-14)22(31)26-12-19(29)30/h1-11,21,27H,12H2,(H,26,31)(H,29,30)
InChIKey WUNYCWDOJBJVPJ-UHFFFAOYSA-N
Mol Weight 453.86 g/mol
Molecular Formula C23H17ClFN3O4
Exact Mass 453.089162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4hrSzZd5k2n
Name 2-({4-[2-(2-Chloro-6-fluorophenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl]benzoyl}amino)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17ClFN3O4
InChI InChI=1S/C23H17ClFN3O4/c24-16-5-3-6-17(25)20(16)21-27-18-7-2-1-4-15(18)23(32)28(21)14-10-8-13(9-11-14)22(31)26-12-19(29)30/h1-11,21,27H,12H2,(H,26,31)(H,29,30)
InChIKey WUNYCWDOJBJVPJ-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1705-6
Molecular Weight 453.857 g/mol
SMILES N(CC(=O)O)C(c1ccc(N2C(Nc3ccccc3C2=O)c2c(cccc2F)Cl)cc1)=O
SPLASH splash10-00dl-4900200000-65f43c601c86be47dfbe
Source of Spectrum HC-51-343-4c
Synonyms (4-(2-(2-chloro-6-fluorophenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl)benzoyl)glycine
Wiley ID 1806417