CID 3007480

Chembl25911

Structural Information

Molecular Formula

C₁₉H₁₇ClN₂O

SMILES

CC(C1=CC=C(C=C1)Cl)OC2=CC=CC=C2C(=C)N3C=CN=C3

InChI

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

InChIKey

LMGZQSBFQPKKCO-UHFFFAOYSA-N

Compound name

1-[1-[2-[1-(4-chlorophenyl)ethoxy]phenyl]ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
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]+	325.11022	175.9
[M+Na]+	347.09216	183.7
[M-H]-	323.09566	182.8
[M+NH4]+	342.13676	189.3
[M+K]+	363.06610	177.0
[M+H-H2O]+	307.10020	166.0
[M+HCOO]-	369.10114	191.6
[M+CH3COO]-	383.11679	186.5
[M+Na-2H]-	345.07761	176.5
[M]+	324.10239	178.3
[M]-	324.10349	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe