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

8
Patents

293.08005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 163.4
[M+Na]+ 316.06927 171.5
[M-H]- 292.07277 170.2
[M+NH4]+ 311.11387 177.5
[M+K]+ 332.04321 167.5
[M+H-H2O]+ 276.07731 154.1
[M+HCOO]- 338.07825 187.5
[M+CH3COO]- 352.09390 206.9
[M+Na-2H]- 314.05472 171.5
[M]+ 293.07950 164.3
[M]- 293.08060 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe