CID 175139

72749-81-6

Structural Information

Molecular Formula
C20H18N4O8S2
SMILES
CC1=CC(=C(C=C1N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)O)O)S(=O)(=O)O)C
InChI
InChI=1S/C20H18N4O8S2/c1-11-7-12(2)20(34(30,31)32)9-15(11)22-24-17-8-16(18(25)10-19(17)26)23-21-13-3-5-14(6-4-13)33(27,28)29/h3-10,25-26H,1-2H3,(H,27,28,29)(H,30,31,32)
InChIKey
GXDXPAGWLHVTBK-UHFFFAOYSA-N
Compound name
5-[[2,4-dihydroxy-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]-2,4-dimethylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.0566 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.06388 213.2
[M+Na]+ 529.04582 221.7
[M+NH4]+ 524.09042 215.4
[M+K]+ 545.01976 215.7
[M-H]- 505.04932 216.5
[M+Na-2H]- 527.03127 219.8
[M]+ 506.05605 215.8
[M]- 506.05715 215.8
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.