CID 9682923

N-(2-{[(2e)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]carbonyl}phenyl)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C21H16ClN3O5S
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN3O5S/c22-15-6-8-16(9-7-15)31(27,28)25-18-4-2-1-3-17(18)21(26)24-23-12-14-5-10-19-20(11-14)30-13-29-19/h1-12,25H,13H2,(H,24,26)/b23-12+
InChIKey
XLOZTCKNBMOLDD-FSJBWODESA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.04993 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.05721 206.1
[M+Na]+ 480.03915 213.4
[M-H]- 456.04265 219.5
[M+NH4]+ 475.08375 215.4
[M+K]+ 496.01309 210.2
[M+H-H2O]+ 440.04719 198.5
[M+HCOO]- 502.04813 221.0
[M+CH3COO]- 516.06378 233.5
[M+Na-2H]- 478.02460 211.6
[M]+ 457.04938 213.1
[M]- 457.05048 213.1
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.