CID 135850402

Cobaltate(3-), bis(2-(((3-((1-(((2-chlorophenyl)amino)carbonyl)-2-(oxo-kappao)propyl)azo-kappan1)-4-(hydroxy-kappao)phenyl)sulfonyl)amino)benzoato(3-))-, trisodium

Structural Information

Molecular Formula
C23H19ClN4O7S
SMILES
CC(=C(C(=O)NC1=CC=CC=C1Cl)N=NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)O)O
InChI
InChI=1S/C23H19ClN4O7S/c1-13(29)21(22(31)25-18-9-5-3-7-16(18)24)27-26-19-12-14(10-11-20(19)30)36(34,35)28-17-8-4-2-6-15(17)23(32)33/h2-12,28-30H,1H3,(H,25,31)(H,32,33)
InChIKey
WPUVWVMHSPKJHI-UHFFFAOYSA-N
Compound name
2-[[3-[[1-(2-chloroanilino)-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

530.0663 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.07358 215.4
[M+Na]+ 553.05552 223.0
[M+NH4]+ 548.10012 217.2
[M+K]+ 569.02946 218.8
[M-H]- 529.05902 218.3
[M+Na-2H]- 551.04097 221.5
[M]+ 530.06575 217.3
[M]- 530.06685 217.3
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.