CID 52726

Brn 3007803

Structural Information

Molecular Formula

C₂₀H₂₂F₃NO₂

SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H22F3NO2/c1-15(12-17-8-5-9-18(13-17)20(21,22)23)24-10-11-26-19(25)14-16-6-3-2-4-7-16/h2-9,13,15,24H,10-12,14H2,1H3

InChIKey

KOMFMWIQAFHLSK-UHFFFAOYSA-N

Compound name

2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.16028 Da
Monoisotopic Mass: 4.6
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]+	366.167556	186.5
[M+Na]+	388.149498	190.8
[M-H]-	364.153004	188.2
[M+NH4]+	383.194103	198.1
[M+K]+	404.123438	186.1
[M+H-H2O]+	348.157540	175.2
[M+HCOO]-	410.158481	203.6
[M+CH3COO]-	424.174131	218.0
[M+Na-2H]-	386.134946	187.4
[M]+	365.15973142	184.1
[M]-	365.16082858	184.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.