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 150.3
[M+Na]+ 258.05592 157.7
[M-H]- 234.05942 154.1
[M+NH4]+ 253.10052 168.4
[M+K]+ 274.02986 153.2
[M+H-H2O]+ 218.06396 143.8
[M+HCOO]- 280.06490 164.0
[M+CH3COO]- 294.08055 185.1
[M+Na-2H]- 256.04137 153.1
[M]+ 235.06615 148.0
[M]- 235.06725 148.0
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.