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
2
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]+ 229.02776 143.2
[M+Na]+ 251.00970 155.1
[M-H]- 227.01320 147.4
[M+NH4]+ 246.05430 161.5
[M+K]+ 266.98364 152.4
[M+H-H2O]+ 211.01774 138.2
[M+HCOO]- 273.01868 162.3
[M+CH3COO]- 287.03433 183.1
[M+Na-2H]- 248.99515 151.0
[M]+ 228.01993 148.5
[M]- 228.02103 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.