CID 174915

72138-85-3

Structural Information

Molecular Formula
C22H22N4O5S
SMILES
CCOC1=CC=C(C=C1)N=NC2=C(C=C(C(=C2)C)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C22H22N4O5S/c1-4-31-18-10-8-16(9-11-18)23-26-21-12-15(2)20(14-22(21)30-3)25-24-17-6-5-7-19(13-17)32(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)
InChIKey
JBRTXFZQRHJFBS-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxyphenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1311 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.13838 207.2
[M+Na]+ 477.12032 219.2
[M+NH4]+ 472.16492 212.5
[M+K]+ 493.09426 210.4
[M-H]- 453.12382 214.5
[M+Na-2H]- 475.10577 217.1
[M]+ 454.13055 211.3
[M]- 454.13165 211.3
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.