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 207.5
[M+Na]+ 494.05480 212.5
[M-H]- 470.05830 218.0
[M+NH4]+ 489.09940 215.5
[M+K]+ 510.02874 206.9
[M+H-H2O]+ 454.06284 197.9
[M+HCOO]- 516.06378 223.6
[M+CH3COO]- 530.07943 235.8
[M+Na-2H]- 492.04025 211.5
[M]+ 471.06503 213.3
[M]- 471.06613 213.3
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.