CID 135422265

Einecs 216-389-7

Structural Information

Molecular Formula
C26H20N4O10S2
SMILES
C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)O)S(=O)(=O)O)/C=C/C3=C(C=C(C=C3)N=NC4=CC(=C(C=C4)O)O)S(=O)(=O)O
InChI
InChI=1S/C26H20N4O10S2/c31-21-9-7-17(11-23(21)33)27-29-19-5-3-15(25(13-19)41(35,36)37)1-2-16-4-6-20(14-26(16)42(38,39)40)30-28-18-8-10-22(32)24(34)12-18/h1-14,31-34H,(H,35,36,37)(H,38,39,40)/b2-1+,29-27?,30-28?
InChIKey
VRBLWSNMXXFIDO-CJEIWIIRSA-N
Compound name
5-[(3,4-dihydroxyphenyl)diazenyl]-2-[(E)-2-[4-[(3,4-dihydroxyphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

612.0621 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.06938 233.3
[M+Na]+ 635.05132 241.7
[M+NH4]+ 630.09592 233.7
[M+K]+ 651.02526 236.1
[M-H]- 611.05482 237.3
[M+Na-2H]- 633.03677 241.0
[M]+ 612.06155 236.0
[M]- 612.06265 236.0
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

patents stripe