CID 516067

Chembl3143562

Structural Information

Molecular Formula
C11H15N3O3S2
SMILES
CC1=NSC2=C1N(C(=N2)SC)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C11H15N3O3S2/c1-5-9-10(19-13-5)12-11(18-2)14(9)8-3-6(16)7(4-15)17-8/h6-8,15-16H,3-4H2,1-2H3/t6-,7+,8+/m0/s1
InChIKey
LBGKBKHFSXFRNA-XLPZGREQSA-N
Compound name
(2R,3S,5R)-2-(hydroxymethyl)-5-(3-methyl-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

301.05548 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06276 163.7
[M+Na]+ 324.04470 176.6
[M-H]- 300.04820 168.1
[M+NH4]+ 319.08930 181.1
[M+K]+ 340.01864 173.7
[M+H-H2O]+ 284.05274 160.9
[M+HCOO]- 346.05368 173.5
[M+CH3COO]- 360.06933 176.0
[M+Na-2H]- 322.03015 159.2
[M]+ 301.05493 170.8
[M]- 301.05603 170.8
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.