CID 459057

P-(p-acetamidophenylazo)benzoic acid

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

CC(=O)NC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13N3O3/c1-10(19)16-12-6-8-14(9-7-12)18-17-13-4-2-11(3-5-13)15(20)21/h2-9H,1H3,(H,16,19)(H,20,21)

InChIKey

FMKADTXFVKHRSO-UHFFFAOYSA-N

Compound name

4-[(4-acetamidophenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.0957 Da
Monoisotopic Mass: 3.1
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]+	284.102976	162.8
[M+Na]+	306.084918	168.7
[M-H]-	282.088424	171.1
[M+NH4]+	301.129523	177.8
[M+K]+	322.058858	166.5
[M+H-H2O]+	266.092960	153.9
[M+HCOO]-	328.093901	190.5
[M+CH3COO]-	342.109551	209.2
[M+Na-2H]-	304.070366	168.1
[M]+	283.09515142	163.4
[M]-	283.09624858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.