CID 135850430

Einecs 277-226-3

Structural Information

Molecular Formula
C23H20N4O7S
SMILES
C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)O)/O
InChI
InChI=1S/C23H20N4O7S/c1-14(28)21(22(30)24-15-7-3-2-4-8-15)26-25-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32/h2-13,27-29H,1H3,(H,24,30)(H,31,32)/b21-14-,26-25?
InChIKey
GSNJHFZRTUPJKT-DZQLAOGOSA-N
Compound name
2-[[3-[[(Z)-1-anilino-3-hydroxy-1-oxobut-2-en-2-yl]diazenyl]-4-hydroxyphenyl]sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

496.10526 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.11254 208.0
[M+Na]+ 519.09448 214.4
[M+NH4]+ 514.13908 209.5
[M+K]+ 535.06842 211.1
[M-H]- 495.09798 210.8
[M+Na-2H]- 517.07993 214.3
[M]+ 496.10471 209.4
[M]- 496.10581 209.4
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.