CID 9644164

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.04993 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.05721 203.9
[M+Na]+ 480.03915 216.0
[M+NH4]+ 475.08375 210.1
[M+K]+ 496.01309 209.6
[M-H]- 456.04265 212.4
[M+Na-2H]- 478.02460 211.1
[M]+ 457.04938 208.7
[M]- 457.05048 208.7
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.