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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.048486	151.4
[M+Na]+	273.030428	163.9
[M-H]-	249.033934	157.0
[M+NH4]+	268.075033	173.0
[M+K]+	289.004368	159.8
[M+H-H2O]+	233.038470	146.3
[M+HCOO]-	295.039411	169.1
[M+CH3COO]-	309.055061	165.2
[M+Na-2H]-	271.015876	153.8
[M]+	250.04066142	155.1
[M]-	250.04175858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.