CID 4690388

279672-29-6

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CCOC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO2/c1-2-26-22-14-12-21(13-15-22)24-17-16-23(25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-15,24H,2,16-17H2,1H3

InChIKey

KLJPLOXDGPYLMW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 5.7
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	189.3
[M-H]-	344.165604	193.5
[M+NH4]+	363.206703	196.7
[M+K]+	384.136038	183.8
[M+H-H2O]+	328.170140	174.4
[M+HCOO]-	390.171081	207.7
[M+CH3COO]-	404.186731	216.1
[M+Na-2H]-	366.147546	188.0
[M]+	345.17233142	185.5
[M]-	345.17342858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.