CID 101246

N-anilinophthalimide

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)NN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C14H10N2O2/c17-13-11-8-4-5-9-12(11)14(18)16(13)15-10-6-2-1-3-7-10/h1-9,15H

InChIKey

SRSOPFHQIAZPOL-UHFFFAOYSA-N

Compound name

2-anilinoisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 47
Patents: 238.07423 Da
Monoisotopic Mass: 2.7
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]+	239.081506	149.8
[M+Na]+	261.063448	159.1
[M-H]-	237.066954	156.7
[M+NH4]+	256.108053	168.6
[M+K]+	277.037388	154.5
[M+H-H2O]+	221.071490	142.1
[M+HCOO]-	283.072431	173.9
[M+CH3COO]-	297.088081	163.0
[M+Na-2H]-	259.048896	155.7
[M]+	238.07368142	149.5
[M]-	238.07477858	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe