CID 261309

Piperazine, 1-(2-methylphenyl)-4-(3-pyridinylcarbonyl)-

Structural Information

Molecular Formula

C₁₇H₁₉N₃O

SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H19N3O/c1-14-5-2-3-7-16(14)19-9-11-20(12-10-19)17(21)15-6-4-8-18-13-15/h2-8,13H,9-12H2,1H3

InChIKey

JVKRTCJLWGSVTG-UHFFFAOYSA-N

Compound name

[4-(2-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 281.1528 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.160076	168.2
[M+Na]+	304.142018	173.5
[M-H]-	280.145524	172.8
[M+NH4]+	299.186623	179.0
[M+K]+	320.115958	168.4
[M+H-H2O]+	264.150060	156.7
[M+HCOO]-	326.151001	183.7
[M+CH3COO]-	340.166651	177.5
[M+Na-2H]-	302.127466	171.4
[M]+	281.15225142	163.4
[M]-	281.15334858	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.