CID 3014617

10142-37-7

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

COC1=C(C=CC(=C1)N=NC2=CC=CC(=C2)C(=O)O)N

InChI

InChI=1S/C14H13N3O3/c1-20-13-8-11(5-6-12(13)15)17-16-10-4-2-3-9(7-10)14(18)19/h2-8H,15H2,1H3,(H,18,19)

InChIKey

DOHWEOZHOWPEAB-UHFFFAOYSA-N

Compound name

3-[(4-amino-3-methoxyphenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.0957 Da
Monoisotopic Mass: 2.5
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]+	272.102976	159.2
[M+Na]+	294.084918	166.5
[M-H]-	270.088424	167.5
[M+NH4]+	289.129523	174.9
[M+K]+	310.058858	164.3
[M+H-H2O]+	254.092960	150.5
[M+HCOO]-	316.093901	187.5
[M+CH3COO]-	330.109551	207.4
[M+Na-2H]-	292.070366	164.5
[M]+	271.09515142	160.3
[M]-	271.09624858	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe