CID 87115

1,4-dinicotinoylpiperazine

Structural Information

Molecular Formula

C₁₆H₁₆N₄O₂

SMILES

C1CN(CCN1C(=O)C2=CN=CC=C2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H16N4O2/c21-15(13-3-1-5-17-11-13)19-7-9-20(10-8-19)16(22)14-4-2-6-18-12-14/h1-6,11-12H,7-10H2

InChIKey

DZUBOXRMAQRSPL-UHFFFAOYSA-N

Compound name

[4-(pyridine-3-carbonyl)piperazin-1-yl]-pyridin-3-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 296.12732 Da
Monoisotopic Mass: 0.2
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]+	297.134596	169.8
[M+Na]+	319.116538	174.6
[M-H]-	295.120044	173.0
[M+NH4]+	314.161143	178.1
[M+K]+	335.090478	169.9
[M+H-H2O]+	279.124580	157.6
[M+HCOO]-	341.125521	183.7
[M+CH3COO]-	355.141171	178.2
[M+Na-2H]-	317.101986	173.4
[M]+	296.12677142	164.9
[M]-	296.12786858	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe