CID 455450

Piperid ph-bis deriv.

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₂

SMILES

C1CN(CCC1O)CC2=CC=C(C=C2)CN3CCC(CC3)O

InChI

InChI=1S/C18H28N2O2/c21-17-5-9-19(10-6-17)13-15-1-2-16(4-3-15)14-20-11-7-18(22)8-12-20/h1-4,17-18,21-22H,5-14H2

InChIKey

SENQBZROPDCLAX-UHFFFAOYSA-N

Compound name

1-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 304.2151 Da
Monoisotopic Mass: 1.3
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]+	305.222376	176.8
[M+Na]+	327.204318	178.5
[M-H]-	303.207824	179.0
[M+NH4]+	322.248923	186.8
[M+K]+	343.178258	173.2
[M+H-H2O]+	287.212360	166.5
[M+HCOO]-	349.213301	187.1
[M+CH3COO]-	363.228951	200.1
[M+Na-2H]-	325.189766	175.9
[M]+	304.21455142	167.3
[M]-	304.21564858	167.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.