CID 135433653

3'-azido-2',3'-dideoxyguanosine

Structural Information

Molecular Formula
C10H12N8O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H12N8O3/c11-10-14-8-7(9(20)15-10)13-3-18(8)6-1-4(16-17-12)5(2-19)21-6/h3-6,19H,1-2H2,(H3,11,14,15,20)/t4-,5+,6+/m0/s1
InChIKey
HETOJIJPBJGZFJ-KVQBGUIXSA-N
Compound name
2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

123
Patents

292.10324 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11052 159.0
[M+Na]+ 315.09246 167.7
[M-H]- 291.09596 163.8
[M+NH4]+ 310.13706 170.7
[M+K]+ 331.06640 159.6
[M+H-H2O]+ 275.10050 154.0
[M+HCOO]- 337.10144 183.1
[M+CH3COO]- 351.11709 200.3
[M+Na-2H]- 313.07791 167.7
[M]+ 292.10269 155.9
[M]- 292.10379 155.9
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