CID 111932

68958-98-5

Structural Information

Molecular Formula
C22H16N4O4S
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=CC=C3)S(=O)(=O)O)N=NC4=CC=C(C=C4)O
InChI
InChI=1S/C22H16N4O4S/c27-17-10-8-15(9-11-17)23-25-21-12-13-22(20-7-2-1-6-19(20)21)26-24-16-4-3-5-18(14-16)31(28,29)30/h1-14,27H,(H,28,29,30)
InChIKey
JARWAIZSBHCDBH-UHFFFAOYSA-N
Compound name
3-[[4-[(4-hydroxyphenyl)diazenyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

432.08923 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09651 197.9
[M+Na]+ 455.07845 211.5
[M+NH4]+ 450.12305 204.7
[M+K]+ 471.05239 201.7
[M-H]- 431.08195 206.3
[M+Na-2H]- 453.06390 209.5
[M]+ 432.08868 202.6
[M]- 432.08978 202.6
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.