CID 38068

Brn 1293481

Structural Information

Molecular Formula

C₁₆H₂₁F₃N₂O

SMILES

CC(CNC(=O)C(F)(F)F)C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C16H21F3N2O/c1-12(11-20-15(22)16(17,18)19)13-5-7-14(8-6-13)21-9-3-2-4-10-21/h5-8,12H,2-4,9-11H2,1H3,(H,20,22)

InChIKey

FNHREEMAUFSJRN-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-[2-(4-piperidin-1-ylphenyl)propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 314.16058 Da
Monoisotopic Mass: 3.9
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]+	315.16786	172.8
[M+Na]+	337.14980	176.0
[M-H]-	313.15330	172.7
[M+NH4]+	332.19440	185.0
[M+K]+	353.12374	172.0
[M+H-H2O]+	297.15784	161.7
[M+HCOO]-	359.15878	185.5
[M+CH3COO]-	373.17443	207.8
[M+Na-2H]-	335.13525	173.1
[M]+	314.16003	163.9
[M]-	314.16113	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe