CID 44148520

70776-63-5

Structural Information

Molecular Formula
C21H20N4O5S
SMILES
CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)N=NC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H20N4O5S/c1-14-11-20(25-22-15-7-9-17(29-2)10-8-15)21(30-3)13-19(14)24-23-16-5-4-6-18(12-16)31(26,27)28/h4-13H,1-3H3,(H,26,27,28)
InChIKey
AHSMAVFWTQKVHP-UHFFFAOYSA-N
Compound name
3-[[5-methoxy-4-[(4-methoxyphenyl)diazenyl]-2-methylphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 203.0
[M+Na]+ 463.10467 215.2
[M+NH4]+ 458.14927 208.5
[M+K]+ 479.07861 206.6
[M-H]- 439.10817 210.3
[M+Na-2H]- 461.09012 213.2
[M]+ 440.11490 207.1
[M]- 440.11600 207.1
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

patents stripe