CID 3032957

38629-79-7

Structural Information

Molecular Formula
C14H12BrN3O4S
SMILES
C1=CC=C(C=C1)NC(=O)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrN3O4S/c15-10-6-8-12(9-7-10)23(21,22)18-17-14(20)13(19)16-11-4-2-1-3-5-11/h1-9,18H,(H,16,19)(H,17,20)
InChIKey
PKHWENRXYFHRFU-UHFFFAOYSA-N
Compound name
2-[2-(4-bromophenyl)sulfonylhydrazinyl]-2-oxo-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.97318 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.98046 169.1
[M+Na]+ 419.96240 176.9
[M-H]- 395.96590 177.5
[M+NH4]+ 415.00700 182.7
[M+K]+ 435.93634 164.2
[M+H-H2O]+ 379.97044 165.9
[M+HCOO]- 441.97138 186.5
[M+CH3COO]- 455.98703 215.6
[M+Na-2H]- 417.94785 175.8
[M]+ 396.97263 187.5
[M]- 396.97373 187.5
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.