CID 46937108

N-oxo-2-(phenylsulfonylamino)ethanamide

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCC(=O)N=O
InChI
InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKey
LBEMJFIVKDOIBO-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)-N-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

228.02048 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.027756 144.8
[M+Na]+ 251.009698 152.1
[M-H]- 227.013204 150.0
[M+NH4]+ 246.054303 162.8
[M+K]+ 266.983638 150.5
[M+H-H2O]+ 211.017740 138.0
[M+HCOO]- 273.018681 166.8
[M+CH3COO]- 287.034331 189.8
[M+Na-2H]- 248.995146 151.3
[M]+ 228.01993142 148.3
[M]- 228.02102858 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe