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1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3,4-dichloro-phenyl)urea
SpectraBase Compound ID 5ELlG0K9DP6
InChI InChI=1S/C27H19Cl2N5O2/c28-22-11-8-19(16-23(22)29)32-27(36)31-18-6-9-20(10-7-18)34-15-13-21-24(34)12-14-30-25(21)33-26(35)17-4-2-1-3-5-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKey ZBYNMTDIPGVXCI-UHFFFAOYSA-N
Mol Weight 516.39 g/mol
Molecular Formula C27H19Cl2N5O2
Exact Mass 515.09158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4woou6wcgi
Name 1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(3,4-dichloro-phenyl)urea
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19Cl2N5O2
InChI InChI=1S/C27H19Cl2N5O2/c28-22-11-8-19(16-23(22)29)32-27(36)31-18-6-9-20(10-7-18)34-15-13-21-24(34)12-14-30-25(21)33-26(35)17-4-2-1-3-5-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKey ZBYNMTDIPGVXCI-UHFFFAOYSA-N
Molecular Weight 516.388 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4cc(Cl)c(cc4)Cl)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-014i-0000090000-1f608b3b2ee123792981
Source of Spectrum F2-46-3223-8b
Synonyms N-[1-[4-[[(3,4-dichloroanilino)-oxomethyl]amino]phenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide
Wiley ID 1690001