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2-((1E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)vinyl)-1,3-dioxoisoindoline-5-carboxylic acid

View entire compound with spectra: 1 MS (GC)

2-((1E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)vinyl)-1,3-dioxoisoindoline-5-carboxylic acid
SpectraBase Compound ID EIwoFhAWtsK
InChI InChI=1S/C26H25N7O9/c1-32(10-18(35)20(37)21(38)19(36)11-34)22(17(9-27)30-31-26-28-15-4-2-3-5-16(15)29-26)33-23(39)13-7-6-12(25(41)42)8-14(13)24(33)40/h2-8,18-21,34-38H,10-11H2,1H3,(H,28,29)(H,41,42)/b22-17+,31-30?/t18-,19+,20+,21+/m0/s1
InChIKey SIESOAGUNUZLAO-WMCFOVEFSA-N
Mol Weight 579.53 g/mol
Molecular Formula C26H25N7O9
Exact Mass 579.171375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqGqMkkRrZ1
Name 2-((1E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-2-cyano-1-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)vinyl)-1,3-dioxoisoindoline-5-carboxylic acid
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.171375404 u
Formula C26H25N7O9
InChI InChI=1S/C26H25N7O9/c1-32(10-18(35)20(37)21(38)19(36)11-34)22(17(9-27)30-31-26-28-15-4-2-3-5-16(15)29-26)33-23(39)13-7-6-12(25(41)42)8-14(13)24(33)40/h2-8,18-21,34-38H,10-11H2,1H3,(H,28,29)(H,41,42)/b22-17+,31-30?/t18-,19+,20+,21+/m0/s1
InChIKey SIESOAGUNUZLAO-WMCFOVEFSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2022.104505
Molecular Weight 579.526 g/mol
SMILES N1C2=C(N=C1N=N\C(=C/(N(C[C@@]([C@]([C@@]([C@@](CO)(O)[H])(O)[H])(O)[H])(O)[H])C)N1C(C3=CC=C(C=C3C1=O)C(=O)O)=O)C#N)C=CC=C2
SPLASH splash10-02dl-6210090000-eed985afaa199ea2f4d7
Source of Spectrum AJC-16-SM17-22 (DOI: 10.1016/j.arabjc.2022.104505)
Wiley ID 1911048