CID 118667

(2z)-3-[2-(4-chlorophenyl)ethyl]-2-[(3-methylphenyl)imino]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula

C₁₈H₁₇ClN₂OS

SMILES

CC1=CC(=CC=C1)N=C2N(C(=O)CS2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2OS/c1-13-3-2-4-16(11-13)20-18-21(17(22)12-23-18)10-9-14-5-7-15(19)8-6-14/h2-8,11H,9-10,12H2,1H3

InChIKey

WPUUBODUBPZOHJ-UHFFFAOYSA-N

Compound name

3-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.075 Da
Monoisotopic Mass: 5.0
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]+	345.082276	181.3
[M+Na]+	367.064218	190.5
[M-H]-	343.067724	191.3
[M+NH4]+	362.108823	197.2
[M+K]+	383.038158	183.3
[M+H-H2O]+	327.072260	173.2
[M+HCOO]-	389.073201	195.9
[M+CH3COO]-	403.088851	192.7
[M+Na-2H]-	365.049666	179.6
[M]+	344.07445142	184.8
[M]-	344.07554858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.