CID 100697

2h-1,3-thiazine-2,4(3h)-dione, dihydro-3-phenyl-

Structural Information

Molecular Formula
C10H9NO2S
SMILES
C1CSC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO2S/c12-9-6-7-14-10(13)11(9)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
LJDLQPIJWHDDCH-UHFFFAOYSA-N
Compound name
3-phenyl-1,3-thiazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

207.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.042676 141.5
[M+Na]+ 230.024618 149.4
[M-H]- 206.028124 146.9
[M+NH4]+ 225.069223 159.5
[M+K]+ 245.998558 145.9
[M+H-H2O]+ 190.032660 134.5
[M+HCOO]- 252.033601 157.4
[M+CH3COO]- 266.049251 182.1
[M+Na-2H]- 228.010066 144.3
[M]+ 207.03485142 140.0
[M]- 207.03594858 140.0
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

patents stripe