CID 490432

Chembl406942

Structural Information

Molecular Formula
C10H12N8O2
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)N=[N+]=[N-]
InChI
InChI=1S/C10H12N8O2/c11-9-6-10(14-2-13-9)18(3-15-6)5-1-4(16-17-12)7(19)8(5)20/h2-5,7-8,19-20H,1H2,(H2,11,13,14)/t4-,5+,7+,8-/m0/s1
InChIKey
UPIWCZFYODCBAS-LAHCRNKXSA-N
Compound name
(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-azidocyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.1083 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11558 154.0
[M+Na]+ 299.09752 162.6
[M-H]- 275.10102 158.2
[M+NH4]+ 294.14212 167.8
[M+K]+ 315.07146 154.0
[M+H-H2O]+ 259.10556 149.1
[M+HCOO]- 321.10650 178.8
[M+CH3COO]- 335.12215 198.5
[M+Na-2H]- 297.08297 162.4
[M]+ 276.10775 149.8
[M]- 276.10885 149.8
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.