CID 201798

4-phenyl-1-(3-phenylpropyl)-4-piperidinol propionate hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₉NO₂

SMILES

CCC(=O)OC1(CCN(CC1)CCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO2/c1-2-22(25)26-23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3

InChIKey

CFTMXUDXOWCOMV-UHFFFAOYSA-N

Compound name

[4-phenyl-1-(3-phenylpropyl)piperidin-4-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 351.21982 Da
Monoisotopic Mass: 4.8
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]+	352.227096	189.4
[M+Na]+	374.209038	192.0
[M-H]-	350.212544	195.7
[M+NH4]+	369.253643	201.7
[M+K]+	390.182978	187.1
[M+H-H2O]+	334.217080	178.5
[M+HCOO]-	396.218021	205.9
[M+CH3COO]-	410.233671	212.5
[M+Na-2H]-	372.194486	190.9
[M]+	351.21927142	186.9
[M]-	351.22036858	186.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.