CID 3007482

Chembl26961

Structural Information

Molecular Formula

C₁₉H₁₇ClN₂O

SMILES

CC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3

InChI

InChI=1S/C19H17ClN2O/c1-14(22-11-10-21-13-22)18-12-17(20)8-9-19(18)23-15(2)16-6-4-3-5-7-16/h3-13,15H,1H2,2H3

InChIKey

QIMWGLMXQLRMTD-UHFFFAOYSA-N

Compound name

1-[1-[5-chloro-2-(1-phenylethoxy)phenyl]ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 324.10294 Da
Monoisotopic Mass: 4.7
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]+	325.110216	175.9
[M+Na]+	347.092158	183.7
[M-H]-	323.095664	182.8
[M+NH4]+	342.136763	189.3
[M+K]+	363.066098	177.0
[M+H-H2O]+	307.100200	166.0
[M+HCOO]-	369.101141	191.6
[M+CH3COO]-	383.116791	186.5
[M+Na-2H]-	345.077606	176.5
[M]+	324.10239142	178.3
[M]-	324.10348858	178.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.