CID 51443

71923-00-7

Structural Information

Molecular Formula

C₂₁H₂₂N₂O₃

SMILES

C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3/c24-21-25-19(20(26-21)17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h1-10H,11-16H2

InChIKey

ZHYNGNFRXSCGRM-UHFFFAOYSA-N

Compound name

4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 350.16306 Da
Monoisotopic Mass: 3.8
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]+	351.170336	183.4
[M+Na]+	373.152278	189.5
[M-H]-	349.155784	194.1
[M+NH4]+	368.196883	191.7
[M+K]+	389.126218	186.2
[M+H-H2O]+	333.160320	172.3
[M+HCOO]-	395.161261	200.5
[M+CH3COO]-	409.176911	193.3
[M+Na-2H]-	371.137726	185.0
[M]+	350.16251142	182.8
[M]-	350.16360858	182.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe