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]+ 354.06738 177.8
[M+Na]+ 376.04932 183.7
[M-H]- 352.05282 185.2
[M+NH4]+ 371.09392 191.0
[M+K]+ 392.02326 178.8
[M+H-H2O]+ 336.05736 170.3
[M+HCOO]- 398.05830 193.5
[M+CH3COO]- 412.07395 215.7
[M+Na-2H]- 374.03477 181.3
[M]+ 353.05955 181.1
[M]- 353.06065 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.