CID 72182

Azdddapr

Structural Information

Molecular Formula
C10H13N9O2
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N9O2/c11-8-7-9(16-10(12)15-8)19(3-14-7)6-1-4(17-18-13)5(2-20)21-6/h3-6,20H,1-2H2,(H4,11,12,15,16)/t4-,5+,6+/m0/s1
InChIKey
BFTAFRDMRHNFKO-KVQBGUIXSA-N
Compound name
[(2S,3S,5R)-3-azido-5-(2,6-diaminopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

291.11923 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12651 158.0
[M+Na]+ 314.10845 166.3
[M-H]- 290.11195 163.7
[M+NH4]+ 309.15305 170.0
[M+K]+ 330.08239 158.8
[M+H-H2O]+ 274.11649 152.5
[M+HCOO]- 336.11743 183.7
[M+CH3COO]- 350.13308 205.7
[M+Na-2H]- 312.09390 167.0
[M]+ 291.11868 154.6
[M]- 291.11978 154.6
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.