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(1E)-N???-((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)-N,N-dimethylformimidamide

View entire compound with spectra: 1 MS (GC)

(1E)-N???-((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)-N,N-dimethylformimidamide
SpectraBase Compound ID 8R7Cx4C8tzl
InChI InChI=1S/C20H28N8O5/c1-27(2)11-22-19(28(3)9-15(30)17(32)18(33)16(31)10-29)14(8-21)25-26-20-23-12-6-4-5-7-13(12)24-20/h4-7,11,15-18,29-33H,9-10H2,1-3H3,(H,23,24)/b19-14-,22-11+,26-25?/t15-,16+,17+,18+/m0/s1
InChIKey BEQDWFAVPSFODQ-XIKSXEFGSA-N
Mol Weight 460.5 g/mol
Molecular Formula C20H28N8O5
Exact Mass 460.218266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaitzZyDHCa
Name (1E)-N???-((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)-N,N-dimethylformimidamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.218266029 u
Formula C20H28N8O5
InChI InChI=1S/C20H28N8O5/c1-27(2)11-22-19(28(3)9-15(30)17(32)18(33)16(31)10-29)14(8-21)25-26-20-23-12-6-4-5-7-13(12)24-20/h4-7,11,15-18,29-33H,9-10H2,1-3H3,(H,23,24)/b19-14-,22-11+,26-25?/t15-,16+,17+,18+/m0/s1
InChIKey BEQDWFAVPSFODQ-XIKSXEFGSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2022.104505
Molecular Weight 460.495 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)\N=C\N(C)C)C#N)C=CC=C2
SPLASH splash10-0a4r-8143900000-8c2690175f77bcfa77ce
Source of Spectrum AJC-16-SM14-18 (DOI: 10.1016/j.arabjc.2022.104505)
Wiley ID 1911047