CID 510983

6-azido-9-beta-d-ribofuranosyl-9h-purine

Structural Information

Molecular Formula
C10H11N7O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H11N7O4/c11-16-15-8-5-9(13-2-12-8)17(3-14-5)10-7(20)6(19)4(1-18)21-10/h2-4,6-7,10,18-20H,1H2/t4-,6-,7-,10-/m1/s1
InChIKey
RPEDALNTACVIFY-KQYNXXCUSA-N
Compound name
(2R,3R,4S,5R)-2-(6-azidopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

293.08725 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09453 159.2
[M+Na]+ 316.07647 167.8
[M-H]- 292.07997 163.0
[M+NH4]+ 311.12107 170.6
[M+K]+ 332.05041 160.4
[M+H-H2O]+ 276.08451 154.7
[M+HCOO]- 338.08545 181.4
[M+CH3COO]- 352.10110 196.4
[M+Na-2H]- 314.06192 167.8
[M]+ 293.08670 157.9
[M]- 293.08780 157.9
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

patents stripe