CID 3595900

279672-38-7

Structural Information

Molecular Formula

C₂₁H₁₈ClNO

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO/c22-19-10-12-20(13-11-19)23-15-14-21(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,23H,14-15H2

InChIKey

BCXCHTWHIIQRIB-UHFFFAOYSA-N

Compound name

3-(4-chloroanilino)-1-(4-phenylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.1077 Da
Monoisotopic Mass: 6.0
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]+	336.114976	179.5
[M+Na]+	358.096918	186.1
[M-H]-	334.100424	188.4
[M+NH4]+	353.141523	193.0
[M+K]+	374.070858	178.6
[M+H-H2O]+	318.104960	170.5
[M+HCOO]-	380.105901	198.5
[M+CH3COO]-	394.121551	190.0
[M+Na-2H]-	356.082366	183.3
[M]+	335.10715142	180.8
[M]-	335.10824858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.