CID 207036

29055-67-2

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂

SMILES

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)NC(=O)CN3CCCCC3

InChI

InChI=1S/C22H28N2O2/c1-26-20-12-10-19(11-13-20)21(16-18-8-4-2-5-9-18)23-22(25)17-24-14-6-3-7-15-24/h2,4-5,8-13,21H,3,6-7,14-17H2,1H3,(H,23,25)

InChIKey

FLCNMDRLYODGLI-UHFFFAOYSA-N

Compound name

N-[1-(4-methoxyphenyl)-2-phenylethyl]-2-piperidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.2151 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]+	353.222376	186.9
[M+Na]+	375.204318	187.6
[M-H]-	351.207824	193.0
[M+NH4]+	370.248923	196.7
[M+K]+	391.178258	183.2
[M+H-H2O]+	335.212360	175.8
[M+HCOO]-	397.213301	203.7
[M+CH3COO]-	411.228951	215.9
[M+Na-2H]-	373.189766	187.6
[M]+	352.21455142	182.6
[M]-	352.21564858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.