CID 481596

[(2s,5s)-5-(6-chloropurin-9-yl)oxy-1,3-oxathiolan-2-yl]methanol

Structural Information

Molecular Formula
C9H9ClN4O3S
SMILES
C1[C@@H](O[C@@H](S1)CO)ON2C=NC3=C2N=CN=C3Cl
InChI
InChI=1S/C9H9ClN4O3S/c10-8-7-9(12-3-11-8)14(4-13-7)17-5-2-18-6(1-15)16-5/h3-6,15H,1-2H2/t5-,6-/m0/s1
InChIKey
WIJMQZGOKDDMLA-WDSKDSINSA-N
Compound name
[(2S,5S)-5-(6-chloropurin-9-yl)oxy-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.0084 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01568 156.9
[M+Na]+ 310.99762 169.3
[M-H]- 287.00112 160.3
[M+NH4]+ 306.04222 171.8
[M+K]+ 326.97156 166.3
[M+H-H2O]+ 271.00566 150.3
[M+HCOO]- 333.00660 166.6
[M+CH3COO]- 347.02225 169.1
[M+Na-2H]- 308.98307 158.0
[M]+ 288.00785 163.7
[M]- 288.00895 163.7
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

No patent data available for this compound.