CID 516066

Chembl3143565

Structural Information

Molecular Formula
C10H13N3O3S
SMILES
CC1=NSC2=C1N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C10H13N3O3S/c1-5-9-10(17-12-5)11-4-13(9)8-2-6(15)7(3-14)16-8/h4,6-8,14-15H,2-3H2,1H3/t6-,7+,8+/m0/s1
InChIKey
QMFCFCWAKKYIJL-XLPZGREQSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(3-methylimidazo[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

255.06776 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07504 153.9
[M+Na]+ 278.05698 165.7
[M-H]- 254.06048 158.1
[M+NH4]+ 273.10158 172.3
[M+K]+ 294.03092 163.9
[M+H-H2O]+ 238.06502 149.5
[M+HCOO]- 300.06596 168.8
[M+CH3COO]- 314.08161 166.9
[M+Na-2H]- 276.04243 151.9
[M]+ 255.06721 158.9
[M]- 255.06831 158.9
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.