CID 24212669

3-(3-chloro-4-methoxyphenyl)-n-(2-ethyl-6-methylphenyl)propanamide

Structural Information

Molecular Formula

C₁₉H₂₂ClNO₂

SMILES

CCC1=CC=CC(=C1NC(=O)CCC2=CC(=C(C=C2)OC)Cl)C

InChI

InChI=1S/C19H22ClNO2/c1-4-15-7-5-6-13(2)19(15)21-18(22)11-9-14-8-10-17(23-3)16(20)12-14/h5-8,10,12H,4,9,11H2,1-3H3,(H,21,22)

InChIKey

ITLLLVRRFAUBAM-UHFFFAOYSA-N

Compound name

3-(3-chloro-4-methoxyphenyl)-N-(2-ethyl-6-methylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.1339 Da
Monoisotopic Mass: 4.7
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]+	332.141176	178.8
[M+Na]+	354.123118	186.9
[M-H]-	330.126624	185.6
[M+NH4]+	349.167723	193.9
[M+K]+	370.097058	181.1
[M+H-H2O]+	314.131160	171.5
[M+HCOO]-	376.132101	197.6
[M+CH3COO]-	390.147751	213.6
[M+Na-2H]-	352.108566	179.9
[M]+	331.13335142	184.3
[M]-	331.13444858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.