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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.