CID 120583

Piperazine, 1-(4-(p-methoxyphenoxy)butyl)-4-(2-pyridyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H27N3O2
SMILES
COC1=CC=C(C=C1)OCCCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H27N3O2/c1-24-18-7-9-19(10-8-18)25-17-5-4-12-22-13-15-23(16-14-22)20-6-2-3-11-21-20/h2-3,6-11H,4-5,12-17H2,1H3
InChIKey
HRKVSMFXLAILKT-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenoxy)butyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.21033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.217606 185.0
[M+Na]+ 364.199548 188.6
[M-H]- 340.203054 188.7
[M+NH4]+ 359.244153 193.2
[M+K]+ 380.173488 183.5
[M+H-H2O]+ 324.207590 172.2
[M+HCOO]- 386.208531 200.3
[M+CH3COO]- 400.224181 211.2
[M+Na-2H]- 362.184996 187.7
[M]+ 341.20978142 183.8
[M]- 341.21087858 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.