CID 136033651

74196-11-5

Structural Information

Molecular Formula
C19H12N4O8S
SMILES
C1=CC=C2C(=C1)C(=O)C(C(=O)N2)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C19H12N4O8S/c24-14-8-15(32(29,30)31)12-7-9(23(27)28)5-6-10(12)16(14)21-22-17-18(25)11-3-1-2-4-13(11)20-19(17)26/h1-8,17,24H,(H,20,26)(H,29,30,31)
InChIKey
UJJUJNNHORAHMI-UHFFFAOYSA-N
Compound name
4-[(2,4-dioxo-1H-quinolin-3-yl)diazenyl]-3-hydroxy-7-nitronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0376 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.04488 193.1
[M+Na]+ 479.02682 198.1
[M-H]- 455.03032 198.5
[M+NH4]+ 474.07142 199.4
[M+K]+ 495.00076 189.8
[M+H-H2O]+ 439.03486 188.2
[M+HCOO]- 501.03580 206.7
[M+CH3COO]- 515.05145 226.8
[M+Na-2H]- 477.01227 203.5
[M]+ 456.03705 193.0
[M]- 456.03815 193.0
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

No patent data available for this compound.