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1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl)-3-(2,3-dichlorophenyl)urea
SpectraBase Compound ID CVU1qYiHZcM
InChI InChI=1S/C28H21Cl2N5O2/c1-17-16-19(32-28(37)33-22-9-5-8-21(29)25(22)30)10-11-23(17)35-15-13-20-24(35)12-14-31-26(20)34-27(36)18-6-3-2-4-7-18/h2-16H,1H3,(H,31,34,36)(H2,32,33,37)
InChIKey LLNLNXIOGMIQNE-UHFFFAOYSA-N
Mol Weight 530.42 g/mol
Molecular Formula C28H21Cl2N5O2
Exact Mass 529.10723 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NcgSlQKUlx
Name 1-(4-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)-3-methylphenyl)-3-(2,3-dichlorophenyl)urea
Alternate Name(s) N-[1-[4-[[(2,3-dichloroanilino)-oxomethyl]amino]-2-methylphenyl]-4-pyrrolo[3,2-c]pyridinyl]benzamide N-[1-[4-[(2,3-dichlorophenyl)carbamoylamino]-2-methylphenyl]pyrrolo[3,2-c]pyridin-4-yl]benzamide N-[1-[4-[[2,3-bis(chloranyl)phenyl]carbamoylamino]-2-methyl-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 C28H21Cl2N5O2
InChI InChI=1S/C28H21Cl2N5O2/c1-17-16-19(32-28(37)33-22-9-5-8-21(29)25(22)30)10-11-23(17)35-15-13-20-24(35)12-14-31-26(20)34-27(36)18-6-3-2-4-7-18/h2-16H,1H3,(H,31,34,36)(H2,32,33,37)
InChIKey LLNLNXIOGMIQNE-UHFFFAOYSA-N
Molecular Weight 530.415 g/mol
SMILES N(c1c2c([n](-c3ccc(NC(Nc4c(c(Cl)ccc4)Cl)=O)cc3C)cc2)ccn1)C(=O)c1ccccc1
SPLASH splash10-001i-0000090000-90d3ffaa6d9d423729e9
Source of Spectrum F2-46-3223-8f
Wiley ID 1689997