CID 117832

26644-96-2

Structural Information

Molecular Formula
C19H13N3O4S
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=CC=NC4=C(C=C3)O
InChI
InChI=1S/C19H13N3O4S/c23-17-9-7-16(14-6-3-11-20-19(14)17)22-21-15-8-10-18(27(24,25)26)13-5-2-1-4-12(13)15/h1-11,23H,(H,24,25,26)
InChIKey
HQNCDPDGDRMZOI-UHFFFAOYSA-N
Compound name
4-[(8-hydroxyquinolin-5-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

379.06268 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.06996 183.7
[M+Na]+ 402.05190 194.0
[M-H]- 378.05540 191.6
[M+NH4]+ 397.09650 195.8
[M+K]+ 418.02584 188.3
[M+H-H2O]+ 362.05994 174.5
[M+HCOO]- 424.06088 202.3
[M+CH3COO]- 438.07653 194.5
[M+Na-2H]- 400.03735 194.1
[M]+ 379.06213 189.2
[M]- 379.06323 189.2
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