CID 3007432

Chembl26072

Structural Information

Molecular Formula

C₁₄H₁₃ClN₄

SMILES

CC(C1=CC=C(C=C1)Cl)(N2C=CN=C2)N3C=CN=C3

InChI

InChI=1S/C14H13ClN4/c1-14(18-8-6-16-10-18,19-9-7-17-11-19)12-2-4-13(15)5-3-12/h2-11H,1H3

InChIKey

QNJXAJNFMCWMSL-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)-1-imidazol-1-ylethyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.0829 Da
Monoisotopic Mass: 2.4
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]+	273.09018	161.0
[M+Na]+	295.07212	171.6
[M-H]-	271.07562	166.2
[M+NH4]+	290.11672	175.7
[M+K]+	311.04606	165.7
[M+H-H2O]+	255.08016	150.5
[M+HCOO]-	317.08110	177.6
[M+CH3COO]-	331.09675	173.0
[M+Na-2H]-	293.05757	165.7
[M]+	272.08235	164.1
[M]-	272.08345	164.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.