CID 246224

Nsc58899

Structural Information

Molecular Formula
C14H18N2O4S
SMILES
CCC(C)C1=C(ONC1=O)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H18N2O4S/c1-4-10(3)12-13(17)15-20-14(12)16-21(18,19)11-7-5-9(2)6-8-11/h5-8,10,16H,4H2,1-3H3,(H,15,17)
InChIKey
IEABSERHWBLRCB-UHFFFAOYSA-N
Compound name
N-(4-butan-2-yl-3-oxo-1,2-oxazol-5-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

310.09872 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.105996 170.0
[M+Na]+ 333.087938 178.6
[M-H]- 309.091444 175.8
[M+NH4]+ 328.132543 183.7
[M+K]+ 349.061878 175.3
[M+H-H2O]+ 293.095980 163.4
[M+HCOO]- 355.096921 186.2
[M+CH3COO]- 369.112571 201.7
[M+Na-2H]- 331.073386 171.4
[M]+ 310.09817142 174.2
[M]- 310.09926858 174.2
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

No patent data available for this compound.