CID 121973

50539-45-2

Structural Information

Molecular Formula

C₂₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)NC2=CC=C(C3=CC=CC=C32)N4C(=O)C=CC4=O

InChI

InChI=1S/C20H14N2O2/c23-19-12-13-20(24)22(19)18-11-10-17(15-8-4-5-9-16(15)18)21-14-6-2-1-3-7-14/h1-13,21H

InChIKey

DUFUXAHBRPMOFG-UHFFFAOYSA-N

Compound name

1-(4-anilinonaphthalen-1-yl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 26
References: 5064
Patents: 314.10553 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]+	315.11281	171.9
[M+Na]+	337.09475	180.6
[M-H]-	313.09825	181.9
[M+NH4]+	332.13935	187.2
[M+K]+	353.06869	174.2
[M+H-H2O]+	297.10279	162.5
[M+HCOO]-	359.10373	195.1
[M+CH3COO]-	373.11938	183.7
[M+Na-2H]-	335.08020	176.1
[M]+	314.10498	171.3
[M]-	314.10608	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe