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]+ 311.10600 170.0
[M+Na]+ 333.08794 178.6
[M-H]- 309.09144 175.8
[M+NH4]+ 328.13254 183.7
[M+K]+ 349.06188 175.3
[M+H-H2O]+ 293.09598 163.4
[M+HCOO]- 355.09692 186.2
[M+CH3COO]- 369.11257 201.7
[M+Na-2H]- 331.07339 171.4
[M]+ 310.09817 174.2
[M]- 310.09927 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.