CID 146501960

2902651-89-0

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂

SMILES

C1CC(=O)NC(=O)C1C2=CC=C(C=C2)N3CCNCC3

InChI

InChI=1S/C15H19N3O2/c19-14-6-5-13(15(20)17-14)11-1-3-12(4-2-11)18-9-7-16-8-10-18/h1-4,13,16H,5-10H2,(H,17,19,20)

InChIKey

WOULORBKOHBDKE-UHFFFAOYSA-N

Compound name

3-(4-piperazin-1-ylphenyl)piperidine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 273.14774 Da
Monoisotopic Mass: 0.5
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]+	274.155016	167.3
[M+Na]+	296.136958	170.9
[M-H]-	272.140464	168.7
[M+NH4]+	291.181563	177.0
[M+K]+	312.110898	164.8
[M+H-H2O]+	256.145000	156.8
[M+HCOO]-	318.145941	177.6
[M+CH3COO]-	332.161591	174.7
[M+Na-2H]-	294.122406	167.9
[M]+	273.14719142	155.9
[M]-	273.14828858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe