CID 135531159

Guanosine, 4'-azido-2'-deoxy-

Structural Information

Molecular Formula
C10H12N8O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H12N8O4/c11-9-14-7-6(8(21)15-9)13-3-18(7)5-1-4(20)10(2-19,22-5)16-17-12/h3-5,19-20H,1-2H2,(H3,11,14,15,21)/t4-,5+,10+/m0/s1
InChIKey
NZANGQBKHOWGDW-LBACSGLVSA-N
Compound name
2-amino-9-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

308.09814 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10542 158.4
[M+Na]+ 331.08736 167.3
[M-H]- 307.09086 162.1
[M+NH4]+ 326.13196 170.6
[M+K]+ 347.06130 159.4
[M+H-H2O]+ 291.09540 154.4
[M+HCOO]- 353.09634 181.2
[M+CH3COO]- 367.11199 199.8
[M+Na-2H]- 329.07281 168.7
[M]+ 308.09759 155.4
[M]- 308.09869 155.4
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