CID 9651764

Me 4-(2-(2-(((4-chlorophenyl)sulfonyl)amino)benzoyl)carbohydrazonoyl)benzoate

Structural Information

Molecular Formula
C22H18ClN3O5S
SMILES
COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O5S/c1-31-22(28)16-8-6-15(7-9-16)14-24-25-21(27)19-4-2-3-5-20(19)26-32(29,30)18-12-10-17(23)11-13-18/h2-14,26H,1H3,(H,25,27)/b24-14+
InChIKey
LVUHLFJGYGTTKT-ZVHZXABRSA-N
Compound name
methyl 4-[(E)-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.06558 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07286 206.8
[M+Na]+ 494.05480 218.5
[M+NH4]+ 489.09940 211.7
[M+K]+ 510.02874 210.2
[M-H]- 470.05830 212.1
[M+Na-2H]- 492.04025 215.8
[M]+ 471.06503 210.5
[M]- 471.06613 210.5
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.