CID 3060059

77606-24-7

Structural Information

Molecular Formula

C₂₂H₂₄N₂O₄

SMILES

COC1=CC=C(C=C1)C2=C(OC(=O)O2)CCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4/c1-26-19-9-7-17(8-10-19)21-20(27-22(25)28-21)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3

InChIKey

PDXJEUYKJRDNMK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 380.1736 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]+	381.180876	191.3
[M+Na]+	403.162818	197.5
[M-H]-	379.166324	202.2
[M+NH4]+	398.207423	198.5
[M+K]+	419.136758	194.8
[M+H-H2O]+	363.170860	180.0
[M+HCOO]-	425.171801	208.2
[M+CH3COO]-	439.187451	200.8
[M+Na-2H]-	401.148266	191.7
[M]+	380.17305142	192.8
[M]-	380.17414858	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe