CID 91285

Einecs 246-636-4

Structural Information

Molecular Formula
C22H22N4O6S
SMILES
CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C22H22N4O6S/c1-4-32-17-10-8-15(9-11-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-6-5-7-18(12-16)33(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)
InChIKey
OFLKKXQQHQTLJM-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxyphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

470.126 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.13328 209.7
[M+Na]+ 493.11522 216.2
[M-H]- 469.11872 223.4
[M+NH4]+ 488.15982 218.4
[M+K]+ 509.08916 213.8
[M+H-H2O]+ 453.12326 197.5
[M+HCOO]- 515.12420 235.6
[M+CH3COO]- 529.13985 247.8
[M+Na-2H]- 491.10067 215.5
[M]+ 470.12545 219.9
[M]- 470.12655 219.9
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.