CID 199325

Piperazine, 1-(2-(4-pyridyl)ethyl)-4-(o-tolyl)-

Structural Information

Molecular Formula
C18H23N3
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=CC=NC=C3
InChI
InChI=1S/C18H23N3/c1-16-4-2-3-5-18(16)21-14-12-20(13-15-21)11-8-17-6-9-19-10-7-17/h2-7,9-10H,8,11-15H2,1H3
InChIKey
RUAFWBHQDYPINX-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 170.3
[M+Na]+ 304.178418 175.2
[M-H]- 280.181924 174.4
[M+NH4]+ 299.223023 181.2
[M+K]+ 320.152358 169.3
[M+H-H2O]+ 264.186460 158.4
[M+HCOO]- 326.187401 186.0
[M+CH3COO]- 340.203051 179.3
[M+Na-2H]- 302.163866 174.0
[M]+ 281.18865142 165.8
[M]- 281.18974858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.