CID 98565

Naphthylazoxine

Structural Information

Molecular Formula
C19H13N3O4S
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)O
InChI
InChI=1S/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,23H,(H,24,25,26)
InChIKey
GTBQEEPPEWJTGD-UHFFFAOYSA-N
Compound name
8-hydroxy-7-(naphthalen-1-yldiazenyl)quinoline-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

51
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

literature stripe

Patent stripe

patents stripe