CID 9606831

3-(2-(((phenylsulfonyl)amino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate

Structural Information

Molecular Formula
C22H18ClN3O5S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O5S/c23-18-11-9-17(10-12-18)22(28)31-19-6-4-5-16(13-19)14-24-26-21(27)15-25-32(29,30)20-7-2-1-3-8-20/h1-14,25H,15H2,(H,26,27)/b24-14+
InChIKey
XLJZRWJCWXVVKD-ZVHZXABRSA-N
Compound name
[3-[(E)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.06558 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07286 206.2
[M+Na]+ 494.05480 217.5
[M+NH4]+ 489.09940 211.1
[M+K]+ 510.02874 209.1
[M-H]- 470.05830 211.4
[M+Na-2H]- 492.04025 215.5
[M]+ 471.06503 209.8
[M]- 471.06613 209.8
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.