CID 510980

[(2s,5r)-5-(6-amino-2-azido-purin-9-yl)tetrahydrofuran-2-yl]methanol

Structural Information

Molecular Formula
C10H12N8O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N=[N+]=[N-])N
InChI
InChI=1S/C10H12N8O2/c11-8-7-9(15-10(14-8)16-17-12)18(4-13-7)6-2-1-5(3-19)20-6/h4-6,19H,1-3H2,(H2,11,14,15)/t5-,6+/m0/s1
InChIKey
WNQQXHNGIJJEJW-NTSWFWBYSA-N
Compound name
[(2S,5R)-5-(6-amino-2-azidopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.1083 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11558 155.4
[M+Na]+ 299.09752 163.7
[M-H]- 275.10102 161.0
[M+NH4]+ 294.14212 168.3
[M+K]+ 315.07146 156.5
[M+H-H2O]+ 259.10556 149.9
[M+HCOO]- 321.10650 180.7
[M+CH3COO]- 335.12215 199.9
[M+Na-2H]- 297.08297 164.9
[M]+ 276.10775 153.1
[M]- 276.10885 153.1
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.