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

7
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 165.1
[M+Na]+ 316.06927 179.3
[M+NH4]+ 311.11387 172.5
[M+K]+ 332.04321 172.3
[M-H]- 292.07277 170.0
[M+Na-2H]- 314.05472 174.1
[M]+ 293.07950 168.4
[M]- 293.08060 168.4
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