CID 14191021

Chembl1651364

Structural Information

Molecular Formula
C11H14N4O4S
SMILES
CSC1=NC=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N4O4S/c1-20-11-12-2-5-9(14-11)15(4-13-5)10-8(18)7(17)6(3-16)19-10/h2,4,6-8,10,16-18H,3H2,1H3/t6-,7-,8-,10-/m1/s1
InChIKey
AQBXLSVGUYASIQ-FDDDBJFASA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2-methylsulfanylpurin-9-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

298.07358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08086 164.2
[M+Na]+ 321.06280 175.7
[M-H]- 297.06630 165.5
[M+NH4]+ 316.10740 176.9
[M+K]+ 337.03674 172.2
[M+H-H2O]+ 281.07084 158.3
[M+HCOO]- 343.07178 175.1
[M+CH3COO]- 357.08743 175.1
[M+Na-2H]- 319.04825 163.1
[M]+ 298.07303 168.8
[M]- 298.07413 168.8
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.