CID 3045004

Piperazine, 1-nicotinoylmethyl-4-phenyl-

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CN(CCN1CC(=O)C2=CN=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3O/c21-17(15-5-4-8-18-13-15)14-19-9-11-20(12-10-19)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2
InChIKey
RHKFILUJULXCGJ-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 167.4
[M+Na]+ 304.142018 171.7
[M-H]- 280.145524 171.5
[M+NH4]+ 299.186623 177.8
[M+K]+ 320.115958 166.5
[M+H-H2O]+ 264.150060 155.7
[M+HCOO]- 326.151001 182.9
[M+CH3COO]- 340.166651 176.3
[M+Na-2H]- 302.127466 171.4
[M]+ 281.15225142 162.3
[M]- 281.15334858 162.3
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.