CID 120625

3v5lbg63pd

Structural Information

Molecular Formula

C₂₂H₂₇NO₂

SMILES

CCC(=O)OC1(CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-2-21(24)25-22(20-11-7-4-8-12-20)14-17-23(18-15-22)16-13-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3

InChIKey

HPFQTBYEZDGKSZ-UHFFFAOYSA-N

Compound name

[4-phenyl-1-(2-phenylethyl)piperidin-4-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 337.2042 Da
Monoisotopic Mass: 4.4
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]+	338.211476	185.0
[M+Na]+	360.193418	188.1
[M-H]-	336.196924	191.6
[M+NH4]+	355.238023	197.9
[M+K]+	376.167358	183.4
[M+H-H2O]+	320.201460	174.3
[M+HCOO]-	382.202401	201.8
[M+CH3COO]-	396.218051	209.5
[M+Na-2H]-	358.178866	187.1
[M]+	337.20365142	182.2
[M]-	337.20474858	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.