CID 112965

62816-35-7

Structural Information

Molecular Formula

C₁₆H₁₁N₃O₃

SMILES

C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C16H11N3O3/c20-14-8-7-13(10-5-3-9-17-15(10)14)19-18-12-6-2-1-4-11(12)16(21)22/h1-9,20H,(H,21,22)

InChIKey

NMALKOSVANYSLY-UHFFFAOYSA-N

Compound name

2-[(8-hydroxyquinolin-5-yl)diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 293.08005 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]+	294.087326	163.4
[M+Na]+	316.069268	171.5
[M-H]-	292.072774	170.2
[M+NH4]+	311.113873	177.5
[M+K]+	332.043208	167.5
[M+H-H2O]+	276.077310	154.1
[M+HCOO]-	338.078251	187.5
[M+CH3COO]-	352.093901	206.9
[M+Na-2H]-	314.054716	171.5
[M]+	293.07950142	164.3
[M]-	293.08059858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe