CID 27282117

769172-66-9

Structural Information

Molecular Formula

C₂₀H₂₂F₃NO₃

SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=C(C=C2)C(F)(F)F)OC

InChI

InChI=1S/C20H22F3NO3/c1-26-17-9-5-15(13-18(17)27-2)11-12-24-19(25)10-6-14-3-7-16(8-4-14)20(21,22)23/h3-5,7-9,13H,6,10-12H2,1-2H3,(H,24,25)

InChIKey

MXUYMTATQVRKBQ-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 381.15518 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]+	382.162456	189.6
[M+Na]+	404.144398	195.9
[M-H]-	380.147904	192.0
[M+NH4]+	399.189003	201.1
[M+K]+	420.118338	191.5
[M+H-H2O]+	364.152440	178.3
[M+HCOO]-	426.153381	207.9
[M+CH3COO]-	440.169031	221.7
[M+Na-2H]-	402.129846	190.4
[M]+	381.15463142	190.1
[M]-	381.15572858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe