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

literature stripe

Patent stripe

patents stripe