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]+ 282.19648 170.8
[M+Na]+ 304.17842 186.2
[M+NH4]+ 299.22302 179.3
[M+K]+ 320.15236 176.7
[M-H]- 280.18192 176.6
[M+Na-2H]- 302.16387 181.0
[M]+ 281.18865 174.7
[M]- 281.18975 174.7
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.