CID 960942

2-(3-aminophenyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)N

InChI

InChI=1S/C14H10N2O2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H,15H2

InChIKey

OOPLRJVJUNAQIG-UHFFFAOYSA-N

Compound name

2-(3-aminophenyl)isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 238.07423 Da
Monoisotopic Mass: 1.7
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]+	239.08151	151.8
[M+Na]+	261.06345	165.6
[M+NH4]+	256.10805	160.2
[M+K]+	277.03739	160.5
[M-H]-	237.06695	156.0
[M+Na-2H]-	259.04890	158.9
[M]+	238.07368	154.8
[M]-	238.07478	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe