CID 484366

Chembl78907

Structural Information

Molecular Formula
C10H12N8OS
SMILES
C1[C@H](S[C@H]([C@H]1N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H12N8OS/c11-8-7-9(14-3-13-8)18(4-15-7)10-6(16-17-12)1-5(2-19)20-10/h3-6,10,19H,1-2H2,(H2,11,13,14)/t5-,6-,10+/m0/s1
InChIKey
YLXJDLTWWNTGDI-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-azidothiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

292.08548 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09276 156.5
[M+Na]+ 315.07470 165.6
[M-H]- 291.07820 161.7
[M+NH4]+ 310.11930 171.0
[M+K]+ 331.04864 156.4
[M+H-H2O]+ 275.08274 152.0
[M+HCOO]- 337.08368 177.8
[M+CH3COO]- 351.09933 201.1
[M+Na-2H]- 313.06015 163.4
[M]+ 292.08493 154.4
[M]- 292.08603 154.4
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.