CID 1697

4,5-dianilinophthalimide

Structural Information

Molecular Formula

C₂₀H₁₅N₃O₂

SMILES

C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)

InChIKey

AAALVYBICLMAMA-UHFFFAOYSA-N

Compound name

5,6-dianilinoisoindole-1,3-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 53
References: 789
Patents: 329.11642 Da
Monoisotopic Mass: 3.8
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]+	330.12370	173.6
[M+Na]+	352.10564	181.0
[M-H]-	328.10914	182.1
[M+NH4]+	347.15024	187.2
[M+K]+	368.07958	173.8
[M+H-H2O]+	312.11368	164.3
[M+HCOO]-	374.11462	196.4
[M+CH3COO]-	388.13027	184.2
[M+Na-2H]-	350.09109	178.4
[M]+	329.11587	170.8
[M]-	329.11697	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe