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]+ 222.05834 146.0
[M+Na]+ 244.04028 153.9
[M-H]- 220.04378 150.2
[M+NH4]+ 239.08488 163.0
[M+K]+ 260.01422 149.3
[M+H-H2O]+ 204.04832 139.4
[M+HCOO]- 266.04926 160.0
[M+CH3COO]- 280.06491 183.7
[M+Na-2H]- 242.02573 147.3
[M]+ 221.05051 143.4
[M]- 221.05161 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.