CID 109789

68214-73-3

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
CNS(=O)(=O)C1=CC2=C(C=C1)OC(=O)N2
InChI
InChI=1S/C8H8N2O4S/c1-9-15(12,13)5-2-3-7-6(4-5)10-8(11)14-7/h2-4,9H,1H3,(H,10,11)
InChIKey
IBUATCUYHGPTHF-UHFFFAOYSA-N
Compound name
N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

228.02048 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.027756 143.2
[M+Na]+ 251.009698 155.1
[M-H]- 227.013204 147.4
[M+NH4]+ 246.054303 161.5
[M+K]+ 266.983638 152.4
[M+H-H2O]+ 211.017740 138.2
[M+HCOO]- 273.018681 162.3
[M+CH3COO]- 287.034331 183.1
[M+Na-2H]- 248.995146 151.0
[M]+ 228.01993142 148.5
[M]- 228.02102858 148.5
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.