CID 136002775

71562-83-9

Structural Information

Molecular Formula
C22H20N4O5S
SMILES
C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3)O)/O
InChI
InChI=1S/C22H20N4O5S/c1-15(27)21(22(29)23-16-8-4-2-5-9-16)25-24-19-14-18(12-13-20(19)28)32(30,31)26-17-10-6-3-7-11-17/h2-14,26-28H,1H3,(H,23,29)/b21-15-,25-24?
InChIKey
LFAGINBFVWBOCG-AQAUNXFGSA-N
Compound name
(Z)-3-hydroxy-2-[[2-hydroxy-5-(phenylsulfamoyl)phenyl]diazenyl]-N-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

452.11545 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.12273 201.1
[M+Na]+ 475.10467 209.3
[M+NH4]+ 470.14927 204.7
[M+K]+ 491.07861 203.6
[M-H]- 451.10817 205.7
[M+Na-2H]- 473.09012 209.4
[M]+ 452.11490 203.5
[M]- 452.11600 203.5
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.