CID 3070008

85603-35-6

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CN(C)CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OC3=CC=CC=C3

InChI

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

InChIKey

LFOKFFOYLYPXAN-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-1-phenoxy-1,1-diphenylpropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 4.9
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	184.3
[M+Na]+	368.162098	187.6
[M-H]-	344.165604	194.1
[M+NH4]+	363.206703	196.3
[M+K]+	384.136038	183.9
[M+H-H2O]+	328.170140	174.1
[M+HCOO]-	390.171081	206.2
[M+CH3COO]-	404.186731	217.5
[M+Na-2H]-	366.147546	189.1
[M]+	345.17233142	185.1
[M]-	345.17342858	185.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.