CID 213433

Phenetole, o-(p-chlorophenoxy)-beta-piperidino-, hydrochloride

Structural Information

Molecular Formula

C₁₉H₂₂ClNO₂

SMILES

C1CCN(CC1)CCOC2=CC=CC=C2OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClNO2/c20-16-8-10-17(11-9-16)23-19-7-3-2-6-18(19)22-15-14-21-12-4-1-5-13-21/h2-3,6-11H,1,4-5,12-15H2

InChIKey

HTKDXOCKHAPJHT-UHFFFAOYSA-N

Compound name

1-[2-[2-(4-chlorophenoxy)phenoxy]ethyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 331.1339 Da
Monoisotopic Mass: 4.9
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]+	332.141176	178.0
[M+Na]+	354.123118	183.1
[M-H]-	330.126624	184.7
[M+NH4]+	349.167723	190.5
[M+K]+	370.097058	177.2
[M+H-H2O]+	314.131160	168.0
[M+HCOO]-	376.132101	192.0
[M+CH3COO]-	390.147751	187.5
[M+Na-2H]-	352.108566	180.7
[M]+	331.13335142	178.0
[M]-	331.13444858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.