CID 135538725

4'-azido-2'-deoxyinosine

Structural Information

Molecular Formula
C10H11N7O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C2N=CNC3=O)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H11N7O4/c11-16-15-10(2-18)5(19)1-6(21-10)17-4-14-7-8(17)12-3-13-9(7)20/h3-6,18-19H,1-2H2,(H,12,13,20)/t5-,6+,10+/m0/s1
InChIKey
IXYDFPDGIIMFGM-BAJZRUMYSA-N
Compound name
9-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

293.08725 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09453 155.9
[M+Na]+ 316.07647 164.9
[M-H]- 292.07997 159.7
[M+NH4]+ 311.12107 169.1
[M+K]+ 332.05041 157.3
[M+H-H2O]+ 276.08451 151.8
[M+HCOO]- 338.08545 178.4
[M+CH3COO]- 352.10110 193.8
[M+Na-2H]- 314.06192 166.7
[M]+ 293.08670 154.0
[M]- 293.08780 154.0
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

patents stripe