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

10
Patents

253.1579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.165176 161.5
[M+Na]+ 276.147118 167.3
[M-H]- 252.150624 166.0
[M+NH4]+ 271.191723 173.6
[M+K]+ 292.121058 161.9
[M+H-H2O]+ 236.155160 150.1
[M+HCOO]- 298.156101 178.0
[M+CH3COO]- 312.171751 171.4
[M+Na-2H]- 274.132566 166.4
[M]+ 253.15735142 156.4
[M]- 253.15844858 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