CID 9672166

N-(2-((2-benzylidenehydrazino)carbonyl)phenyl)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C20H16ClN3O3S
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16ClN3O3S/c21-16-10-12-17(13-11-16)28(26,27)24-19-9-5-4-8-18(19)20(25)23-22-14-15-6-2-1-3-7-15/h1-14,24H,(H,23,25)/b22-14+
InChIKey
OGBHWUYVKHVFEU-HYARGMPZSA-N
Compound name
N-[(E)-benzylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.0601 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.06738 194.6
[M+Na]+ 436.04932 201.3
[M-H]- 412.05282 205.4
[M+NH4]+ 431.09392 205.4
[M+K]+ 452.02326 194.3
[M+H-H2O]+ 396.05736 185.5
[M+HCOO]- 458.05830 211.8
[M+CH3COO]- 472.07395 226.1
[M+Na-2H]- 434.03477 199.8
[M]+ 413.05955 198.3
[M]- 413.06065 198.3
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.