CID 201891

7059-31-6

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CCC1(CSC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO2S/c1-2-12(9-6-4-3-5-7-9)8-16-11(15)13-10(12)14/h3-7H,2,8H2,1H3,(H,13,14,15)
InChIKey
DUCJTYVEBJXBMM-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07398 151.5
[M+Na]+ 258.05592 163.8
[M+NH4]+ 253.10052 161.2
[M+K]+ 274.02986 153.2
[M-H]- 234.05942 154.5
[M+Na-2H]- 256.04137 159.4
[M]+ 235.06615 154.7
[M]- 235.06725 154.7
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.