CID 172481

70210-07-0

Structural Information

Molecular Formula
C24H18N6O8S2
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3O)O)N=NC4=CC=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C24H18N6O8S2/c31-23-14-24(32)22(30-28-18-7-11-20(12-8-18)40(36,37)38)13-21(23)29-27-16-3-1-15(2-4-16)25-26-17-5-9-19(10-6-17)39(33,34)35/h1-14,31-32H,(H,33,34,35)(H,36,37,38)
InChIKey
DBYASOONEPBSNW-UHFFFAOYSA-N
Compound name
4-[[4-[[2,4-dihydroxy-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

582.06274 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.07002 225.3
[M+Na]+ 605.05196 233.9
[M+NH4]+ 600.09656 227.3
[M+K]+ 621.02590 226.9
[M-H]- 581.05546 232.2
[M+Na-2H]- 603.03741 236.1
[M]+ 582.06219 228.8
[M]- 582.06329 228.8
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.