CID 342329

N-(4-oxo-4h-3,1-benzoxazin-2-yl)methanesulfonamide

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
CS(=O)(=O)NC1=NC2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C9H8N2O4S/c1-16(13,14)11-9-10-7-5-3-2-4-6(7)8(12)15-9/h2-5H,1H3,(H,10,11)
InChIKey
IKQGPXJHPMKALA-UHFFFAOYSA-N
Compound name
N-(4-oxo-3,1-benzoxazin-2-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 145.7
[M+Na]+ 263.00970 156.6
[M-H]- 239.01320 150.6
[M+NH4]+ 258.05430 162.2
[M+K]+ 278.98364 154.4
[M+H-H2O]+ 223.01774 139.3
[M+HCOO]- 285.01868 163.8
[M+CH3COO]- 299.03433 188.9
[M+Na-2H]- 260.99515 155.1
[M]+ 240.01993 150.9
[M]- 240.02103 150.9
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.