CID 103146

5-((4-aminophenyl)azo)-3-methylsalicylic acid

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

CC1=CC(=CC(=C1O)C(=O)O)N=NC2=CC=C(C=C2)N

InChI

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

InChIKey

YTIOMBPRIHISAH-UHFFFAOYSA-N

Compound name

5-[(4-aminophenyl)diazenyl]-2-hydroxy-3-methylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 271.0957 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]+	272.102976	159.8
[M+Na]+	294.084918	167.6
[M-H]-	270.088424	167.1
[M+NH4]+	289.129523	175.1
[M+K]+	310.058858	164.6
[M+H-H2O]+	254.092960	151.7
[M+HCOO]-	316.093901	186.6
[M+CH3COO]-	330.109551	206.5
[M+Na-2H]-	292.070366	163.9
[M]+	271.09515142	159.5
[M]-	271.09624858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe