CID 110318

68444-09-7

Structural Information

Molecular Formula
C23H24N4O6S
SMILES
CCOC1=C(C=C(C=C1)N=NC2=C(C=C(C(=C2)OC)N=NC3=CC=C(C=C3)S(=O)(=O)O)OC)C
InChI
InChI=1S/C23H24N4O6S/c1-5-33-21-11-8-17(12-15(21)2)25-27-20-14-22(31-3)19(13-23(20)32-4)26-24-16-6-9-18(10-7-16)34(28,29)30/h6-14H,5H2,1-4H3,(H,28,29,30)
InChIKey
YYSIWDPSELCGBX-UHFFFAOYSA-N
Compound name
4-[[4-[(4-ethoxy-3-methylphenyl)diazenyl]-2,5-dimethoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.14166 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.14894 214.7
[M+Na]+ 507.13088 221.5
[M-H]- 483.13438 228.5
[M+NH4]+ 502.17548 223.0
[M+K]+ 523.10482 219.1
[M+H-H2O]+ 467.13892 202.4
[M+HCOO]- 529.13986 240.2
[M+CH3COO]- 543.15551 252.0
[M+Na-2H]- 505.11633 219.3
[M]+ 484.14111 225.6
[M]- 484.14221 225.6
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.