CID 156735768

2642231-76-1

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C=CC=C3C2=O)C=O

InChI

InChI=1S/C14H12N2O4/c17-7-8-2-1-3-9-10(8)6-16(14(9)20)11-4-5-12(18)15-13(11)19/h1-3,7,11H,4-6H2,(H,15,18,19)

InChIKey

WCPNGVGMEFNTRW-UHFFFAOYSA-N

Compound name

2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 272.0797 Da
Monoisotopic Mass: -0.4
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]+	273.086976	159.6
[M+Na]+	295.068918	168.2
[M-H]-	271.072424	163.3
[M+NH4]+	290.113523	175.2
[M+K]+	311.042858	163.3
[M+H-H2O]+	255.076960	152.0
[M+HCOO]-	317.077901	176.0
[M+CH3COO]-	331.093551	195.2
[M+Na-2H]-	293.054366	160.2
[M]+	272.07915142	156.6
[M]-	272.08024858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe