CID 3057263

74007-83-3

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CC1C(SC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO2S/c1-7-9(8-5-3-2-4-6-8)15-11(14)12-10(7)13/h2-7,9H,1H3,(H,12,13,14)
InChIKey
HBVRZWKIUHHPML-UHFFFAOYSA-N
Compound name
5-methyl-6-phenyl-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.058336 146.0
[M+Na]+ 244.040278 153.9
[M-H]- 220.043784 150.2
[M+NH4]+ 239.084883 163.0
[M+K]+ 260.014218 149.3
[M+H-H2O]+ 204.048320 139.4
[M+HCOO]- 266.049261 160.0
[M+CH3COO]- 280.064911 183.7
[M+Na-2H]- 242.025726 147.3
[M]+ 221.05051142 143.4
[M]- 221.05160858 143.4
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.