CID 86249941

Chembl4525807

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
C1CS(=O)(=O)C2=NC(=CN21)C3=CC=C(C=C3)O
InChI
InChI=1S/C11H10N2O3S/c14-9-3-1-8(2-4-9)10-7-13-5-6-17(15,16)11(13)12-10/h1-4,7,14H,5-6H2
InChIKey
ISGOSWWOQJZRBI-UHFFFAOYSA-N
Compound name
4-(1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 151.4
[M+Na]+ 273.03043 163.9
[M-H]- 249.03393 157.0
[M+NH4]+ 268.07503 173.0
[M+K]+ 289.00437 159.8
[M+H-H2O]+ 233.03847 146.3
[M+HCOO]- 295.03941 169.1
[M+CH3COO]- 309.05506 165.2
[M+Na-2H]- 271.01588 153.8
[M]+ 250.04066 155.1
[M]- 250.04176 155.1
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.