CID 4123737

Einecs 221-858-4

Structural Information

Molecular Formula
C26H18N4O9S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)S(=O)(=O)O)N=NC4=C(C=CC5=C4C=CC(=C5)S(=O)(=O)O)O)O)O
InChI
InChI=1S/C26H18N4O9S2/c31-22-9-5-14-3-1-2-4-18(14)24(22)29-27-20-12-17(41(37,38)39)13-21(26(20)33)28-30-25-19-8-7-16(40(34,35)36)11-15(19)6-10-23(25)32/h1-13,31-33H,(H,34,35,36)(H,37,38,39)
InChIKey
UNQKGOZAZKPDEY-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[[2-hydroxy-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-5-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.0515 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.05878 227.7
[M+Na]+ 617.04072 239.0
[M+NH4]+ 612.08532 230.6
[M+K]+ 633.01466 231.5
[M-H]- 593.04422 232.7
[M+Na-2H]- 615.02617 236.3
[M]+ 594.05095 231.4
[M]- 594.05205 231.4
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.