CID 213439

26327-83-3

Structural Information

Molecular Formula

C₂₀H₂₄ClNO₂

SMILES

C1CCN(CC1)CCCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNO2/c21-17-9-11-18(12-10-17)24-20-8-3-2-7-19(20)23-16-6-15-22-13-4-1-5-14-22/h2-3,7-12H,1,4-6,13-16H2

InChIKey

BWIDZBHWNCKQHG-UHFFFAOYSA-N

Compound name

1-[3-[2-(4-chlorophenoxy)phenoxy]propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 345.14957 Da
Monoisotopic Mass: 5.3
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]+	346.156846	182.5
[M+Na]+	368.138788	187.1
[M-H]-	344.142294	189.0
[M+NH4]+	363.183393	194.4
[M+K]+	384.112728	181.0
[M+H-H2O]+	328.146830	172.2
[M+HCOO]-	390.147771	196.2
[M+CH3COO]-	404.163421	209.4
[M+Na-2H]-	366.124236	184.7
[M]+	345.14902142	182.8
[M]-	345.15011858	182.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.