CID 3039648

50910-24-2

Structural Information

Molecular Formula

C₂₀H₂₄ClNO

SMILES

C1CCN(CC1)CCC(C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C20H24ClNO/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22/h4-11,20,23H,1-3,12-15H2

InChIKey

CIYOUDPREVSLBI-UHFFFAOYSA-N

Compound name

1-[4-(4-chlorophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.15463 Da
Monoisotopic Mass: 4.6
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]+	330.161906	179.2
[M+Na]+	352.143848	183.1
[M-H]-	328.147354	184.4
[M+NH4]+	347.188453	191.0
[M+K]+	368.117788	176.1
[M+H-H2O]+	312.151890	169.8
[M+HCOO]-	374.152831	190.2
[M+CH3COO]-	388.168481	187.6
[M+Na-2H]-	350.129296	179.8
[M]+	329.15408142	175.8
[M]-	329.15517858	175.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.