CID 3007446

Chembl27182

Structural Information

Molecular Formula

C₁₄H₁₅ClN₂O

SMILES

CCCOC1=C(C=C(C=C1)Cl)C(=C)N2C=CN=C2

InChI

InChI=1S/C14H15ClN2O/c1-3-8-18-14-5-4-12(15)9-13(14)11(2)17-7-6-16-10-17/h4-7,9-10H,2-3,8H2,1H3

InChIKey

CBAOYABKVGXZPD-UHFFFAOYSA-N

Compound name

1-[1-(5-chloro-2-propoxyphenyl)ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 262.08728 Da
Monoisotopic Mass: 3.7
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]+	263.09456	159.1
[M+Na]+	285.07650	168.2
[M-H]-	261.08000	163.0
[M+NH4]+	280.12110	175.7
[M+K]+	301.05044	162.8
[M+H-H2O]+	245.08454	150.9
[M+HCOO]-	307.08548	176.3
[M+CH3COO]-	321.10113	195.3
[M+Na-2H]-	283.06195	161.3
[M]+	262.08673	162.7
[M]-	262.08783	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.