CID 199287

Piperazine, 1-phenyl-4-(2-(4-pyridyl)ethyl)-

Structural Information

Molecular Formula
C17H21N3
SMILES
C1CN(CCN1CCC2=CC=NC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3/c1-2-4-17(5-3-1)20-14-12-19(13-15-20)11-8-16-6-9-18-10-7-16/h1-7,9-10H,8,11-15H2
InChIKey
FSQOGGFEFMYPPR-UHFFFAOYSA-N
Compound name
1-phenyl-4-(2-pyridin-4-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

267.17355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 165.2
[M+Na]+ 290.162768 169.6
[M-H]- 266.166274 169.1
[M+NH4]+ 285.207373 176.4
[M+K]+ 306.136708 164.0
[M+H-H2O]+ 250.170810 153.4
[M+HCOO]- 312.171751 181.3
[M+CH3COO]- 326.187401 174.3
[M+Na-2H]- 288.148216 170.3
[M]+ 267.17300142 160.0
[M]- 267.17409858 160.0
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