CID 745761

100880-61-3

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=C(C=C3)N

InChI

InChI=1S/C15H12N2O2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9,16H2

InChIKey

FPSRUFWSIDRGBT-UHFFFAOYSA-N

Compound name

2-[(4-aminophenyl)methyl]isoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 23
Patents: 252.08987 Da
Monoisotopic Mass: 2.1
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]+	253.09715	156.4
[M+Na]+	275.07909	170.0
[M+NH4]+	270.12369	164.6
[M+K]+	291.05303	164.6
[M-H]-	251.08259	160.5
[M+Na-2H]-	273.06454	163.2
[M]+	252.08932	159.3
[M]-	252.09042	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe