CID 26746

14593-09-0

Structural Information

Molecular Formula

C₂₃H₂₃NO₂

SMILES

CC(=O)NC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

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

InChIKey

WUHXJEYNCVLJDM-UHFFFAOYSA-N

Compound name

N-(3-hydroxy-1,3,3-triphenylpropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.17288 Da
Monoisotopic Mass: 3.8
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	183.8
[M+Na]+	368.162098	186.3
[M-H]-	344.165604	190.9
[M+NH4]+	363.206703	194.5
[M+K]+	384.136038	181.0
[M+H-H2O]+	328.170140	174.4
[M+HCOO]-	390.171081	202.8
[M+CH3COO]-	404.186731	212.1
[M+Na-2H]-	366.147546	187.9
[M]+	345.17233142	180.9
[M]-	345.17342858	180.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.