CID 3060364

Piperazine, 1-(2-methyl-4-pyridyl)-4-phenyl-, dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 161.8
[M+Na]+ 276.14712 177.7
[M+NH4]+ 271.19172 170.6
[M+K]+ 292.12106 168.6
[M-H]- 252.15062 167.6
[M+Na-2H]- 274.13257 172.6
[M]+ 253.15735 165.9
[M]- 253.15845 165.9
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.