CID 469792

[(3s,5s)-5-(6-aminopurin-9-yl)-3-azido-tetrahydrofuran-3-yl]methanol

Structural Information

Molecular Formula
C10H12N8O2
SMILES
C1[C@H](OC[C@]1(CO)N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H12N8O2/c11-8-7-9(14-4-13-8)18(5-15-7)6-1-10(2-19,3-20-6)16-17-12/h4-6,19H,1-3H2,(H2,11,13,14)/t6-,10-/m0/s1
InChIKey
ORZXJIXGDXJVOI-WKEGUHRASA-N
Compound name
[(3S,5S)-5-(6-aminopurin-9-yl)-3-azidooxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 151.7
[M+Na]+ 299.09752 160.1
[M-H]- 275.10102 157.2
[M+NH4]+ 294.14212 166.3
[M+K]+ 315.07146 153.3
[M+H-H2O]+ 259.10556 146.5
[M+HCOO]- 321.10650 177.1
[M+CH3COO]- 335.12215 198.2
[M+Na-2H]- 297.08297 163.4
[M]+ 276.10775 149.4
[M]- 276.10885 149.4
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.