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]+ 380.069956 183.7
[M+Na]+ 402.051898 194.0
[M-H]- 378.055404 191.6
[M+NH4]+ 397.096503 195.8
[M+K]+ 418.025838 188.3
[M+H-H2O]+ 362.059940 174.5
[M+HCOO]- 424.060881 202.3
[M+CH3COO]- 438.076531 194.5
[M+Na-2H]- 400.037346 194.1
[M]+ 379.06213142 189.2
[M]- 379.06322858 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