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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19648 186.4
[M+Na]+ 376.17842 193.0
[M-H]- 352.18192 196.3
[M+NH4]+ 371.22302 197.3
[M+K]+ 392.15236 185.0
[M+H-H2O]+ 336.18646 174.5
[M+HCOO]- 398.18740 208.9
[M+CH3COO]- 412.20305 196.3
[M+Na-2H]- 374.16387 189.4
[M]+ 353.18865 185.8
[M]- 353.18975 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.