CID 85328

4-phenylazomaleinanil

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C=CC3=O

InChI

InChI=1S/C16H11N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-11H

InChIKey

DVNPYLMPVFDKGZ-UHFFFAOYSA-N

Compound name

1-(4-phenyldiazenylphenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 121
Patents: 277.0851 Da
Monoisotopic Mass: 2.9
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]+	278.09238	163.1
[M+Na]+	300.07432	177.2
[M+NH4]+	295.11892	171.1
[M+K]+	316.04826	170.9
[M-H]-	276.07782	169.9
[M+Na-2H]-	298.05977	173.8
[M]+	277.08455	166.9
[M]-	277.08565	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe