CID 135422240

Nsc632488

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 234.9
[M+Na]+ 635.05132 238.1
[M-H]- 611.05482 243.4
[M+NH4]+ 630.09592 233.3
[M+K]+ 651.02526 233.3
[M+H-H2O]+ 595.05936 223.2
[M+HCOO]- 657.06030 246.8
[M+CH3COO]- 671.07595 261.5
[M+Na-2H]- 633.03677 242.5
[M]+ 612.06155 239.1
[M]- 612.06265 239.1
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.