CID 479116

(4-chloro-benzyl)-(3-imidazol-1-yl-phenyl)-amine

Structural Information

Molecular Formula

C₁₆H₁₄ClN₃

SMILES

C1=CC(=CC(=C1)N2C=CN=C2)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3/c17-14-6-4-13(5-7-14)11-19-15-2-1-3-16(10-15)20-9-8-18-12-20/h1-10,12,19H,11H2

InChIKey

MUZOVLXYZSZEIJ-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-3-imidazol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 283.08762 Da
Monoisotopic Mass: 3.8
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	163.9
[M+Na]+	306.076838	172.6
[M-H]-	282.080344	170.9
[M+NH4]+	301.121443	178.9
[M+K]+	322.050778	165.5
[M+H-H2O]+	266.084880	154.1
[M+HCOO]-	328.085821	183.3
[M+CH3COO]-	342.101471	175.6
[M+Na-2H]-	304.062286	169.0
[M]+	283.08707142	165.1
[M]-	283.08816858	165.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.