CID 3006885

Chembl3304512

Structural Information

Molecular Formula

C₁₉H₁₉ClN₂

SMILES

CC1=CC=CC=C1C(CC2=CC=C(C=C2)Cl)CN3C=CN=C3

InChI

InChI=1S/C19H19ClN2/c1-15-4-2-3-5-19(15)17(13-22-11-10-21-14-22)12-16-6-8-18(20)9-7-16/h2-11,14,17H,12-13H2,1H3

InChIKey

VIPBWTDKVSVOJX-UHFFFAOYSA-N

Compound name

1-[3-(4-chlorophenyl)-2-(2-methylphenyl)propyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.1237 Da
Monoisotopic Mass: 4.6
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]+	311.130976	173.9
[M+Na]+	333.112918	181.9
[M-H]-	309.116424	180.5
[M+NH4]+	328.157523	188.1
[M+K]+	349.086858	174.6
[M+H-H2O]+	293.120960	163.9
[M+HCOO]-	355.121901	190.2
[M+CH3COO]-	369.137551	184.7
[M+Na-2H]-	331.098366	175.6
[M]+	310.12315142	176.1
[M]-	310.12424858	176.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.