CID 91285

25124-87-2

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 209.9
[M+Na]+ 493.11522 221.3
[M+NH4]+ 488.15982 214.6
[M+K]+ 509.08916 213.1
[M-H]- 469.11872 216.6
[M+Na-2H]- 491.10067 219.4
[M]+ 470.12545 213.7
[M]- 470.12655 213.7
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.