CID 24212627

3-(3-chloro-4-methoxyphenyl)-n-(2,6-diethylphenyl)propanamide

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CCC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C20H24ClNO2/c1-4-15-7-6-8-16(5-2)20(15)22-19(23)12-10-14-9-11-18(24-3)17(21)13-14/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,22,23)

InChIKey

CQTHOFZNDYWDAM-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methoxyphenyl)-N-(2,6-diethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.14957 Da
Monoisotopic Mass: 5.2
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]+	346.156846	183.5
[M+Na]+	368.138788	191.1
[M-H]-	344.142294	190.0
[M+NH4]+	363.183393	197.9
[M+K]+	384.112728	185.1
[M+H-H2O]+	328.146830	175.9
[M+HCOO]-	390.147771	201.9
[M+CH3COO]-	404.163421	216.6
[M+Na-2H]-	366.124236	184.0
[M]+	345.14902142	189.3
[M]-	345.15011858	189.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.