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]+ 326.222696 182.1
[M+Na]+ 348.204638 185.9
[M-H]- 324.208144 185.8
[M+NH4]+ 343.249243 191.1
[M+K]+ 364.178578 180.2
[M+H-H2O]+ 308.212680 169.6
[M+HCOO]- 370.213621 197.3
[M+CH3COO]- 384.229271 190.0
[M+Na-2H]- 346.190086 184.8
[M]+ 325.21487142 179.6
[M]- 325.21596858 179.6
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.