CID 10449292

160291-60-1

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₆

SMILES

COC1=C2C(=C(C=C1)OC)C(=O)N(C2=O)CCN3C(=O)C=CC3=O

InChI

InChI=1S/C16H14N2O6/c1-23-9-3-4-10(24-2)14-13(9)15(21)18(16(14)22)8-7-17-11(19)5-6-12(17)20/h3-6H,7-8H2,1-2H3

InChIKey

PLOHPNCILFRALR-UHFFFAOYSA-N

Compound name

2-[2-(2,5-dioxopyrrol-1-yl)ethyl]-4,7-dimethoxyisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 330.08517 Da
Monoisotopic Mass: 0.1
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]+	331.092446	170.6
[M+Na]+	353.074388	181.7
[M-H]-	329.077894	177.1
[M+NH4]+	348.118993	186.9
[M+K]+	369.048328	178.7
[M+H-H2O]+	313.082430	163.9
[M+HCOO]-	375.083371	191.8
[M+CH3COO]-	389.099021	209.8
[M+Na-2H]-	351.059836	169.3
[M]+	330.08462142	177.5
[M]-	330.08571858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.