CID 1092319

333319-70-3

Structural Information

Molecular Formula
C15H16ClN3O3S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClN3O3S/c16-13-6-8-14(9-7-13)23(21,22)19(11-15(20)18-17)10-12-4-2-1-3-5-12/h1-9H,10-11,17H2,(H,18,20)
InChIKey
ZBOIPCWLZGGCJE-UHFFFAOYSA-N
Compound name
N-benzyl-4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.0601 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.067376 177.8
[M+Na]+ 376.049318 183.7
[M-H]- 352.052824 185.2
[M+NH4]+ 371.093923 191.0
[M+K]+ 392.023258 178.8
[M+H-H2O]+ 336.057360 170.3
[M+HCOO]- 398.058301 193.5
[M+CH3COO]- 412.073951 215.7
[M+Na-2H]- 374.034766 181.3
[M]+ 353.05955142 181.1
[M]- 353.06064858 181.1
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.