CID 503925

Chembl564943

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃

SMILES

CC1=C(N(C=N1)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3/c1-12-16(13-6-3-2-4-7-13)20(11-18-12)19-15-9-5-8-14(17)10-15/h2-11,19H,1H3

InChIKey

RTJKWRSLMYBKBB-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-4-methyl-5-phenylimidazol-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 19
Patents: 283.08762 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]+	284.094896	164.5
[M+Na]+	306.076838	174.2
[M-H]-	282.080344	171.9
[M+NH4]+	301.121443	179.9
[M+K]+	322.050778	167.1
[M+H-H2O]+	266.084880	155.0
[M+HCOO]-	328.085821	183.9
[M+CH3COO]-	342.101471	176.5
[M+Na-2H]-	304.062286	168.8
[M]+	283.08707142	166.1
[M]-	283.08816858	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe