CID 516070

Chembl2093049

Structural Information

Molecular Formula
C10H13N3O4S2
SMILES
CSC1=NC2=C(N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)C=NS2
InChI
InChI=1S/C10H13N3O4S2/c1-18-10-12-8-4(2-11-19-8)13(10)9-7(16)6(15)5(3-14)17-9/h2,5-7,9,14-16H,3H2,1H3/t5-,6-,7+,9-/m1/s1
InChIKey
DLBRRSUNJFUPDX-JAGXHNFQSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(5-methylsulfanylimidazo[4,5-d][1,2]thiazol-4-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.03476 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04204 162.0
[M+Na]+ 326.02398 174.4
[M-H]- 302.02748 165.2
[M+NH4]+ 321.06858 178.5
[M+K]+ 341.99792 171.5
[M+H-H2O]+ 286.03202 159.6
[M+HCOO]- 348.03296 170.9
[M+CH3COO]- 362.04861 173.8
[M+Na-2H]- 324.00943 158.2
[M]+ 303.03421 168.4
[M]- 303.03531 168.4
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.