CID 673676

4506-62-1

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3N

InChI

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

InChIKey

OAJOEZGYYINOJB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 46
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	150.7
[M+Na]+	261.06345	160.9
[M-H]-	237.06695	157.6
[M+NH4]+	256.10805	169.6
[M+K]+	277.03739	156.0
[M+H-H2O]+	221.07149	143.3
[M+HCOO]-	283.07243	174.2
[M+CH3COO]-	297.08808	164.0
[M+Na-2H]-	259.04890	154.9
[M]+	238.07368	149.8
[M]-	238.07478	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe