CID 481600

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

Structural Information

Molecular Formula
C10H12N4O4S
SMILES
COC1=NC=NC2=C1N=CN2O[C@H]3CS[C@H](O3)CO
InChI
InChI=1S/C10H12N4O4S/c1-16-10-8-9(11-4-12-10)14(5-13-8)18-6-3-19-7(2-15)17-6/h4-7,15H,2-3H2,1H3/t6-,7-/m0/s1
InChIKey
UOFZWXHLYVRTSV-BQBZGAKWSA-N
Compound name
[(2S,5S)-5-(6-methoxypurin-9-yl)oxy-1,3-oxathiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.05792 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.06520 157.5
[M+Na]+ 307.04714 168.8
[M-H]- 283.05064 160.9
[M+NH4]+ 302.09174 171.7
[M+K]+ 323.02108 167.3
[M+H-H2O]+ 267.05518 150.6
[M+HCOO]- 329.05612 172.0
[M+CH3COO]- 343.07177 169.7
[M+Na-2H]- 305.03259 159.0
[M]+ 284.05737 164.5
[M]- 284.05847 164.5
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.