CID 200409

2033-71-8

Structural Information

Molecular Formula

C₂₁H₂₇ClN₂O₂

SMILES

COC1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-25-20-8-10-21(11-9-20)26-17-3-2-12-23-13-15-24(16-14-23)19-6-4-18(22)5-7-19/h4-11H,2-3,12-17H2,1H3

InChIKey

LMQBBIUNUXRLGE-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)-4-[4-(4-methoxyphenoxy)butyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.17612 Da
Monoisotopic Mass: 4.8
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]+	375.183396	191.3
[M+Na]+	397.165338	196.2
[M-H]-	373.168844	196.4
[M+NH4]+	392.209943	200.8
[M+K]+	413.139278	189.8
[M+H-H2O]+	357.173380	179.8
[M+HCOO]-	419.174321	203.1
[M+CH3COO]-	433.189971	216.1
[M+Na-2H]-	395.150786	192.2
[M]+	374.17557142	192.7
[M]-	374.17666858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.