CID 200408

Piperazine, 1-(2-pyridyl)-4-(4-(o-tolyloxy)butyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC1=CC=CC=C1OCCCCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C20H27N3O/c1-18-8-2-3-9-19(18)24-17-7-6-12-22-13-15-23(16-14-22)20-10-4-5-11-21-20/h2-5,8-11H,6-7,12-17H2,1H3
InChIKey
AKKSFLWWBNMTID-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenoxy)butyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 182.9
[M+Na]+ 348.20464 197.4
[M+NH4]+ 343.24924 190.4
[M+K]+ 364.17858 188.0
[M-H]- 324.20814 188.1
[M+Na-2H]- 346.19009 192.1
[M]+ 325.21487 186.5
[M]- 325.21597 186.5
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.