CID 510979

2-azidodeoxyadenosine

Structural Information

Molecular Formula
C10H12N8O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N=[N+]=[N-])N)CO)O
InChI
InChI=1S/C10H12N8O3/c11-8-7-9(15-10(14-8)16-17-12)18(3-13-7)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2,(H2,11,14,15)/t4-,5+,6+/m0/s1
InChIKey
PLBOKIVEVSWRNR-KVQBGUIXSA-N
Compound name
(2R,3S,5R)-5-(6-amino-2-azidopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

292.10324 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11052 158.8
[M+Na]+ 315.09246 167.2
[M-H]- 291.09596 163.5
[M+NH4]+ 310.13706 170.5
[M+K]+ 331.06640 159.7
[M+H-H2O]+ 275.10050 153.8
[M+HCOO]- 337.10144 182.7
[M+CH3COO]- 351.11709 201.0
[M+Na-2H]- 313.07791 167.6
[M]+ 292.10269 156.4
[M]- 292.10379 156.4
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

patents stripe