CID 484364

Chembl347156

Structural Information

Molecular Formula
C10H10ClN7OS
SMILES
C1[C@H](S[C@H]([C@@H]1N=[N+]=[N-])N2C=NC3=C2N=CN=C3Cl)CO
InChI
InChI=1S/C10H10ClN7OS/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/t5-,6+,10+/m0/s1
InChIKey
NWBOSDXEMSFRBL-BAJZRUMYSA-N
Compound name
[(2S,4R,5R)-4-azido-5-(6-chloropurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

311.0356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04288 165.9
[M+Na]+ 334.02482 176.0
[M-H]- 310.02832 170.9
[M+NH4]+ 329.06942 180.8
[M+K]+ 349.99876 166.3
[M+H-H2O]+ 294.03286 161.7
[M+HCOO]- 356.03380 181.8
[M+CH3COO]- 370.04945 200.5
[M+Na-2H]- 332.01027 171.2
[M]+ 311.03505 166.9
[M]- 311.03615 166.9
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.