CID 67018

Einecs 204-184-5

Structural Information

Molecular Formula
C28H20N4O8S2
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)N=NC5=CC=C(C=C5)O
InChI
InChI=1S/C28H20N4O8S2/c33-23-12-10-22(11-13-23)30-29-20-6-1-17(2-7-20)18-3-8-21(9-4-18)31-32-28-25(34)14-5-19-15-24(41(35,36)37)16-26(27(19)28)42(38,39)40/h1-16,33-34H,(H,35,36,37)(H,38,39,40)
InChIKey
GWPGBRYJVGKLHH-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

604.07227 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.07955 234.1
[M+Na]+ 627.06149 239.0
[M-H]- 603.06499 245.7
[M+NH4]+ 622.10609 235.2
[M+K]+ 643.03543 234.4
[M+H-H2O]+ 587.06953 222.5
[M+HCOO]- 649.07047 247.8
[M+CH3COO]- 663.08612 263.2
[M+Na-2H]- 625.04694 244.9
[M]+ 604.07172 239.3
[M]- 604.07282 239.3
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.