CID 674576

3-(4-methoxyphenyl)-n-[3-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula

C₁₇H₁₆F₃NO₂

SMILES

COC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H16F3NO2/c1-23-15-8-5-12(6-9-15)7-10-16(22)21-14-4-2-3-13(11-14)17(18,19)20/h2-6,8-9,11H,7,10H2,1H3,(H,21,22)

InChIKey

UEICPECVLYWOGM-UHFFFAOYSA-N

Compound name

3-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.1133 Da
Monoisotopic Mass: 4.4
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]+	324.120576	172.6
[M+Na]+	346.102518	179.5
[M-H]-	322.106024	175.2
[M+NH4]+	341.147123	186.3
[M+K]+	362.076458	175.0
[M+H-H2O]+	306.110560	162.0
[M+HCOO]-	368.111501	191.7
[M+CH3COO]-	382.127151	209.5
[M+Na-2H]-	344.087966	175.6
[M]+	323.11275142	170.2
[M]-	323.11384858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.