CID 452986

4'-azido-2'-deoxyadenosine

Structural Information

Molecular Formula
C10H12N8O3
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C(N=CN=C32)N)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H12N8O3/c11-8-7-9(14-3-13-8)18(4-15-7)6-1-5(20)10(2-19,21-6)16-17-12/h3-6,19-20H,1-2H2,(H2,11,13,14)/t5-,6+,10+/m0/s1
InChIKey
LFYJIPVHOHZXNZ-BAJZRUMYSA-N
Compound name
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-azido-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

292.10324 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11052 154.9
[M+Na]+ 315.09246 163.4
[M-H]- 291.09596 159.5
[M+NH4]+ 310.13706 168.3
[M+K]+ 331.06640 156.4
[M+H-H2O]+ 275.10050 150.3
[M+HCOO]- 337.10144 179.0
[M+CH3COO]- 351.11709 199.3
[M+Na-2H]- 313.07791 166.0
[M]+ 292.10269 152.6
[M]- 292.10379 152.6
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