CID 242307

6327-46-4

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
C1CCC(CC1)C2=C(ONC2=O)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H18N2O4S/c18-14-13(11-7-3-1-4-8-11)15(21-16-14)17-22(19,20)12-9-5-2-6-10-12/h2,5-6,9-11,17H,1,3-4,7-8H2,(H,16,18)
InChIKey
VWQJROFHLBAQNQ-UHFFFAOYSA-N
Compound name
N-(4-cyclohexyl-3-oxo-1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09872 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 171.0
[M+Na]+ 345.087938 177.2
[M-H]- 321.091444 178.7
[M+NH4]+ 340.132543 183.4
[M+K]+ 361.061878 173.4
[M+H-H2O]+ 305.095980 163.7
[M+HCOO]- 367.096921 185.4
[M+CH3COO]- 381.112571 199.9
[M+Na-2H]- 343.073386 173.5
[M]+ 322.09817142 169.3
[M]- 322.09926858 169.3
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.