CID 105335

66214-48-0

Structural Information

Molecular Formula
C21H20N4O5S
SMILES
CCOC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C21H20N4O5S/c1-3-30-18-10-7-15(8-11-18)22-25-20-12-9-17(14-21(20)29-2)24-23-16-5-4-6-19(13-16)31(26,27)28/h4-14H,3H2,1-2H3,(H,26,27,28)
InChIKey
XLZIQVXZQAHASF-UHFFFAOYSA-N
Compound name
3-[[4-[(4-ethoxyphenyl)diazenyl]-3-methoxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

440.11545 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12273 202.2
[M+Na]+ 463.10467 214.1
[M+NH4]+ 458.14927 207.7
[M+K]+ 479.07861 205.3
[M-H]- 439.10817 209.5
[M+Na-2H]- 461.09012 212.7
[M]+ 440.11490 206.3
[M]- 440.11600 206.3
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.