CID 201703

P-phenol, (1-phenethyl-3-propyl-3-piperidinyl)-, hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₉NO

SMILES

CCCC1(CCCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O

InChI

InChI=1S/C22H29NO/c1-2-13-22(20-10-6-11-21(24)17-20)14-7-15-23(18-22)16-12-19-8-4-3-5-9-19/h3-6,8-11,17,24H,2,7,12-16,18H2,1H3

InChIKey

FQYQCBXYTBGKCP-UHFFFAOYSA-N

Compound name

3-[1-(2-phenylethyl)-3-propylpiperidin-3-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.2249 Da
Monoisotopic Mass: 5.5
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]+	324.232176	182.3
[M+Na]+	346.214118	186.0
[M-H]-	322.217624	187.8
[M+NH4]+	341.258723	195.7
[M+K]+	362.188058	180.0
[M+H-H2O]+	306.222160	172.2
[M+HCOO]-	368.223101	198.4
[M+CH3COO]-	382.238751	190.9
[M+Na-2H]-	344.199566	184.5
[M]+	323.22435142	178.2
[M]-	323.22544858	178.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.