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(2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4-nitro-1,3-dioxoisoindolin-2-yl)acrylonitrile

View entire compound with spectra: 1 MS (GC)

(2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4-nitro-1,3-dioxoisoindolin-2-yl)acrylonitrile
SpectraBase Compound ID 15hL94LR5Ij
InChI InChI=1S/C25H24N8O9/c1-31(10-17(35)20(37)21(38)18(36)11-34)22(15(9-26)29-30-25-27-13-6-2-3-7-14(13)28-25)32-23(39)12-5-4-8-16(33(41)42)19(12)24(32)40/h2-8,17-18,20-21,34-38H,10-11H2,1H3,(H,27,28)/b22-15+,30-29?/t17-,18+,20+,21+/m0/s1
InChIKey JIFZJVFSAJPJGD-JTKHUSQKSA-N
Mol Weight 580.51 g/mol
Molecular Formula C25H24N8O9
Exact Mass 580.166624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hURi7R9yyt
Name (2E)-2-((1H-benzo[d]imidazol-2-yl)diazenyl)-3-(methyl((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)amino)-3-(4-nitro-1,3-dioxoisoindolin-2-yl)acrylonitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.166624376 u
Formula C25H24N8O9
InChI InChI=1S/C25H24N8O9/c1-31(10-17(35)20(37)21(38)18(36)11-34)22(15(9-26)29-30-25-27-13-6-2-3-7-14(13)28-25)32-23(39)12-5-4-8-16(33(41)42)19(12)24(32)40/h2-8,17-18,20-21,34-38H,10-11H2,1H3,(H,27,28)/b22-15+,30-29?/t17-,18+,20+,21+/m0/s1
InChIKey JIFZJVFSAJPJGD-JTKHUSQKSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2022.104505
Molecular Weight 580.514 g/mol
Quality 162
SMILES N1C=2C=CC=CC2N=C1N=N\C(=C/(N(C[C@@]([C@]([C@@]([C@@](CO)(O)[H])(O)[H])(O)[H])(O)[H])C)N1C(C2=C(C1=O)C(=CC=C2)[N+](=O)[O-])=O)C#N
SPLASH splash10-01tc-9200050000-6b3d516b5807919cb7bc
Source of Spectrum AJC-16-15-24 (DOI: 10.1016/j.arabjc.2022.104505)
Wiley ID 1911043