CID 91143

24210-99-9

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO2/c1-26-21-14-12-19(13-15-21)22(24-17-18-8-4-2-5-9-18)16-23(25)20-10-6-3-7-11-20/h2-15,22,24H,16-17H2,1H3

InChIKey

LAJIGEFFWHOCJB-UHFFFAOYSA-N

Compound name

3-(benzylamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 4.1
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]+	346.180156	184.7
[M+Na]+	368.162098	188.1
[M-H]-	344.165604	193.2
[M+NH4]+	363.206703	196.3
[M+K]+	384.136038	183.1
[M+H-H2O]+	328.170140	174.5
[M+HCOO]-	390.171081	206.7
[M+CH3COO]-	404.186731	215.8
[M+Na-2H]-	366.147546	187.6
[M]+	345.17233142	184.5
[M]-	345.17342858	184.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.