CID 504428

Chembl498061

Structural Information

Molecular Formula

C₂₄H₂₃N₃

SMILES

CC1=CC=C(C=C1)CN2C=NC=C2CNC3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3/c1-19-10-12-20(13-11-19)17-27-18-25-15-24(27)16-26-23-9-5-8-22(14-23)21-6-3-2-4-7-21/h2-15,18,26H,16-17H2,1H3

InChIKey

FEPOHPMQAOEQFU-UHFFFAOYSA-N

Compound name

N-[[3-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]-3-phenylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 353.1892 Da
Monoisotopic Mass: 5.1
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]+	354.196476	186.4
[M+Na]+	376.178418	193.0
[M-H]-	352.181924	196.3
[M+NH4]+	371.223023	197.3
[M+K]+	392.152358	185.0
[M+H-H2O]+	336.186460	174.5
[M+HCOO]-	398.187401	208.9
[M+CH3COO]-	412.203051	196.3
[M+Na-2H]-	374.163866	189.4
[M]+	353.18865142	185.8
[M]-	353.18974858	185.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.