CID 100195

26847-34-7

Structural Information

Molecular Formula

C₁₃H₁₅ClN₂OS

SMILES

CCC1C(N2CCN=C2S1)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C13H15ClN2OS/c1-2-11-13(17,9-3-5-10(14)6-4-9)16-8-7-15-12(16)18-11/h3-6,11,17H,2,7-8H2,1H3

InChIKey

GHIYMSVUXQLJSA-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)-2-ethyl-5,6-dihydro-2H-imidazo[2,1-b][1,3]thiazol-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 17
Patents: 282.05936 Da
Monoisotopic Mass: 2.5
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]+	283.06664	162.3
[M+Na]+	305.04858	173.3
[M-H]-	281.05208	166.9
[M+NH4]+	300.09318	183.6
[M+K]+	321.02252	167.7
[M+H-H2O]+	265.05662	157.1
[M+HCOO]-	327.05756	172.4
[M+CH3COO]-	341.07321	174.4
[M+Na-2H]-	303.03403	161.9
[M]+	282.05881	165.5
[M]-	282.05991	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe