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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.