CID 516079

Chembl2092808

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CC1=NSC2=C1N=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N3O4S/c1-4-6-10(18-12-4)13(3-11-6)9-8(16)7(15)5(2-14)17-9/h3,5,7-9,14-16H,2H2,1H3/t5-,7-,8+,9-/m1/s1
InChIKey
ZPWXFVRKAKYKNC-BUJSFMDZSA-N
Compound name
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-(3-methylimidazo[4,5-d][1,2]thiazol-6-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.06268 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06996 157.2
[M+Na]+ 294.05190 168.9
[M-H]- 270.05540 160.4
[M+NH4]+ 289.09650 174.3
[M+K]+ 310.02584 166.8
[M+H-H2O]+ 254.05994 153.3
[M+HCOO]- 316.06088 170.7
[M+CH3COO]- 330.07653 169.6
[M+Na-2H]- 292.03735 154.5
[M]+ 271.06213 162.1
[M]- 271.06323 162.1
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.