CID 138394307

Dtxsid80890481

Structural Information

Molecular Formula
C28H24N4O8S2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C(C=CC(=C4)C)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C28H24N4O8S2/c1-17-3-11-25(33)23(13-17)31-29-21-9-7-19(27(15-21)41(35,36)37)5-6-20-8-10-22(16-28(20)42(38,39)40)30-32-24-14-18(2)4-12-26(24)34/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40)
InChIKey
XYQNQTGHULKXSO-UHFFFAOYSA-N
Compound name
5-[(2-hydroxy-5-methylphenyl)diazenyl]-2-[2-[4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.1036 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.11088 238.3
[M+Na]+ 631.09282 248.3
[M+NH4]+ 626.13742 240.0
[M+K]+ 647.06676 240.3
[M-H]- 607.09632 243.9
[M+Na-2H]- 629.07827 247.1
[M]+ 608.10305 241.9
[M]- 608.10415 241.9
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.