CID 203486

Piperazine, 1-(4-pyridyl)-4-(p-tolyl)-

Structural Information

Molecular Formula
C16H19N3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3
InChI
InChI=1S/C16H19N3/c1-14-2-4-15(5-3-14)18-10-12-19(13-11-18)16-6-8-17-9-7-16/h2-9H,10-13H2,1H3
InChIKey
JPFIHDZQVOHSAY-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-4-pyridin-4-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

253.1579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 161.5
[M+Na]+ 276.14712 167.3
[M-H]- 252.15062 166.0
[M+NH4]+ 271.19172 173.6
[M+K]+ 292.12106 161.9
[M+H-H2O]+ 236.15516 150.1
[M+HCOO]- 298.15610 178.0
[M+CH3COO]- 312.17175 171.4
[M+Na-2H]- 274.13257 166.4
[M]+ 253.15735 156.4
[M]- 253.15845 156.4
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

patents stripe