CID 25418903

76107-53-4

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₂

SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-2-22(26)24(19-6-4-3-5-7-19)20-13-16-23(17-14-20)15-12-18-8-10-21(25)11-9-18/h3-11,20,25H,2,12-17H2,1H3

InChIKey

LCMFYINHURKMTB-UHFFFAOYSA-N

Compound name

N-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 352.2151 Da
Monoisotopic Mass: 3.7
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	187.3
[M+Na]+	375.204318	189.0
[M-H]-	351.207824	193.8
[M+NH4]+	370.248923	197.4
[M+K]+	391.178258	184.6
[M+H-H2O]+	335.212360	176.5
[M+HCOO]-	397.213301	204.1
[M+CH3COO]-	411.228951	217.1
[M+Na-2H]-	373.189766	187.3
[M]+	352.21455142	183.4
[M]-	352.21564858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe