CID 1909135

372975-62-7

Structural Information

Molecular Formula

C₁₈H₁₇ClN₂OS

SMILES

COCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

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

InChIKey

YIIXNFPPVSHCNJ-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)-3-(2-methoxyethyl)-N-phenyl-1,3-thiazol-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.075 Da
Monoisotopic Mass: 4.4
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	179.8
[M+Na]+	367.064218	190.0
[M-H]-	343.067724	190.2
[M+NH4]+	362.108823	195.7
[M+K]+	383.038158	182.9
[M+H-H2O]+	327.072260	171.3
[M+HCOO]-	389.073201	197.0
[M+CH3COO]-	403.088851	191.9
[M+Na-2H]-	365.049666	180.7
[M]+	344.07445142	186.4
[M]-	344.07554858	186.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.