CID 451362

3'-azido-2',3'-dideoxyadenosine

Structural Information

Molecular Formula
C10H12N8O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H12N8O2/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(2-19)20-7/h3-7,19H,1-2H2,(H2,11,13,14)/t5-,6+,7+/m0/s1
InChIKey
XDRZJDXXQHFAAE-RRKCRQDMSA-N
Compound name
[(2S,3S,5R)-5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

150
Patents

276.1083 Da
Monoisotopic Mass

0.4
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

patents stripe