CID 3006674

1h-imidazole-4,5-dicarboxylic acid, 1-.beta.-l-ribofuranosyl-, dihydrazide

Structural Information

Molecular Formula
C10H16N6O6
SMILES
C1=NC(=C(N1[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O)C(=O)NN)C(=O)NN
InChI
InChI=1S/C10H16N6O6/c11-14-8(20)4-5(9(21)15-12)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1,11-12H2,(H,14,20)(H,15,21)/t3-,6-,7-,10-/m0/s1
InChIKey
LKUICCMSEVGART-VUZZUPLGSA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.11313 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12041 166.5
[M+Na]+ 339.10235 170.8
[M-H]- 315.10585 168.1
[M+NH4]+ 334.14695 176.6
[M+K]+ 355.07629 170.5
[M+H-H2O]+ 299.11039 158.5
[M+HCOO]- 361.11133 185.0
[M+CH3COO]- 375.12698 209.4
[M+Na-2H]- 337.08780 164.7
[M]+ 316.11258 161.9
[M]- 316.11368 161.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.