CID 516068

Chembl3143560

Structural Information

Molecular Formula
C10H13N3O3S2
SMILES
CSC1=NC2=C(N1[C@H]3C[C@@H]([C@H](O3)CO)O)C=NS2
InChI
InChI=1S/C10H13N3O3S2/c1-17-10-12-9-5(3-11-18-9)13(10)8-2-6(15)7(4-14)16-8/h3,6-8,14-15H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey
WVEJNHSAQKOHKQ-XLPZGREQSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methylsulfanylimidazo[4,5-d][1,2]thiazol-4-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.03983 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.04711 159.0
[M+Na]+ 310.02905 171.6
[M-H]- 286.03255 163.2
[M+NH4]+ 305.07365 176.8
[M+K]+ 326.00299 169.1
[M+H-H2O]+ 270.03709 156.0
[M+HCOO]- 332.03803 169.2
[M+CH3COO]- 346.05368 171.5
[M+Na-2H]- 308.01450 155.5
[M]+ 287.03928 165.4
[M]- 287.04038 165.4
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.