CID 9607572

N-(2-((2-(3-bromobenzylidene)hydrazino)carbonyl)ph)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C20H15BrClN3O3S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC(=CC=C2)Br)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H15BrClN3O3S/c21-15-5-3-4-14(12-15)13-23-24-20(26)18-6-1-2-7-19(18)25-29(27,28)17-10-8-16(22)9-11-17/h1-13,25H,(H,24,26)/b23-13+
InChIKey
NCAVQFPJTAHMOE-YDZHTSKRSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.9706 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.977876 193.6
[M+Na]+ 513.959818 203.5
[M-H]- 489.963324 206.4
[M+NH4]+ 509.004423 205.5
[M+K]+ 529.933758 188.5
[M+H-H2O]+ 473.967860 190.5
[M+HCOO]- 535.968801 208.4
[M+CH3COO]- 549.984451 233.9
[M+Na-2H]- 511.945266 199.7
[M]+ 490.97005142 215.7
[M]- 490.97114858 215.7
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.