CID 739118

93150-23-3

Structural Information

Molecular Formula

C₁₆H₂₁N₃O₂

SMILES

C1CC(=O)N(C1=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2

InChIKey

WIJICIRJAQSICP-UHFFFAOYSA-N

Compound name

1-[(4-benzylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 287.1634 Da
Monoisotopic Mass: 0.6
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]+	288.170676	169.5
[M+Na]+	310.152618	174.4
[M-H]-	286.156124	174.0
[M+NH4]+	305.197223	182.1
[M+K]+	326.126558	170.0
[M+H-H2O]+	270.160660	158.8
[M+HCOO]-	332.161601	184.8
[M+CH3COO]-	346.177251	199.6
[M+Na-2H]-	308.138066	168.6
[M]+	287.16285142	164.3
[M]-	287.16394858	164.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.