CID 136144493

72796-98-6

Structural Information

Molecular Formula
C20H14N2O8S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C=CC4=C3C(=CC=C4)S(=O)(=O)O)O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14N2O8S2/c23-14-9-8-11-4-3-7-16(31(25,26)27)18(11)20(14)22-21-19-13-6-2-1-5-12(13)17(10-15(19)24)32(28,29)30/h1-10,23-24H,(H,25,26,27)(H,28,29,30)
InChIKey
NSDZQUBIHNVNHE-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.01917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.02645 201.8
[M+Na]+ 497.00839 213.4
[M+NH4]+ 492.05299 206.1
[M+K]+ 512.98233 206.1
[M-H]- 473.01189 203.8
[M+Na-2H]- 494.99384 208.2
[M]+ 474.01862 204.8
[M]- 474.01972 204.8
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.