CID 110419

68516-60-9

Structural Information

Molecular Formula
C20H18N4O6S
SMILES
COC1=CC(=C(C=C1N=NC2=CC=C(C=C2)O)OC)N=NC3=CC(=CC=C3)S(=O)(=O)O
InChI
InChI=1S/C20H18N4O6S/c1-29-19-12-18(24-22-14-4-3-5-16(10-14)31(26,27)28)20(30-2)11-17(19)23-21-13-6-8-15(25)9-7-13/h3-12,25H,1-2H3,(H,26,27,28)
InChIKey
MIXWIPPKIPRDEA-UHFFFAOYSA-N
Compound name
3-[[4-[(4-hydroxyphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.10198 200.6
[M+Na]+ 465.08392 207.5
[M-H]- 441.08742 213.3
[M+NH4]+ 460.12852 209.7
[M+K]+ 481.05786 204.8
[M+H-H2O]+ 425.09196 189.1
[M+HCOO]- 487.09290 225.7
[M+CH3COO]- 501.10855 240.0
[M+Na-2H]- 463.06937 207.0
[M]+ 442.09415 208.4
[M]- 442.09525 208.4
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.