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N-(1-(4-[3-(2,3-dichlorophenyl)urea]phenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl) benzamide
SpectraBase Compound ID LGpodnH6rqi
InChI InChI=1S/C27H19Cl2N5O2/c28-21-7-4-8-22(24(21)29)32-27(36)31-18-9-11-19(12-10-18)34-16-14-20-23(34)13-15-30-25(20)33-26(35)17-5-2-1-3-6-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKey VESKBAUAPARDBJ-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 KQu1QcP1KMn
Name N-(1-(4-[3-(2,3-dichlorophenyl)urea]phenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl) benzamide
Alternate Name(s) N-[1-[4-[[(2,3-dichloroanilino)-oxomethyl]amino]phenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide N-[1-[4-[[2,3-bis(chloranyl)phenyl]carbamoylamino]phenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19Cl2N5O2
InChI InChI=1S/C27H19Cl2N5O2/c28-21-7-4-8-22(24(21)29)32-27(36)31-18-9-11-19(12-10-18)34-16-14-20-23(34)13-15-30-25(20)33-26(35)17-5-2-1-3-6-17/h1-16H,(H,30,33,35)(H2,31,32,36)
InChIKey VESKBAUAPARDBJ-UHFFFAOYSA-N
Molecular Weight 516.388 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4c(c(Cl)ccc4)Cl)=O)cc3)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-014i-0000090000-aad157f9d3b75d73de1a
Source of Spectrum F2-46-3223-8a
Wiley ID 1690002