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]+ 282.16008 167.4
[M+Na]+ 304.14202 171.7
[M-H]- 280.14552 171.5
[M+NH4]+ 299.18662 177.8
[M+K]+ 320.11596 166.5
[M+H-H2O]+ 264.15006 155.7
[M+HCOO]- 326.15100 182.9
[M+CH3COO]- 340.16665 176.3
[M+Na-2H]- 302.12747 171.4
[M]+ 281.15225 162.3
[M]- 281.15335 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.