CID 77423

3810-51-3

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃

SMILES

CC1=CC(=C(C=C1C)O)N=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H14N2O3/c1-9-7-13(14(18)8-10(9)2)17-16-12-5-3-11(4-6-12)15(19)20/h3-8,18H,1-2H3,(H,19,20)

InChIKey

IRPMNRQJHGUWHK-UHFFFAOYSA-N

Compound name

4-[(2-hydroxy-4,5-dimethylphenyl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 1
Patents: 270.10043 Da
Monoisotopic Mass: 3.6
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]+	271.10771	161.6
[M+Na]+	293.08965	174.5
[M+NH4]+	288.13425	168.6
[M+K]+	309.06359	168.3
[M-H]-	269.09315	166.1
[M+Na-2H]-	291.07510	169.5
[M]+	270.09988	164.5
[M]-	270.10098	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe