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

4
Patents

207.0354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.04268 141.5
[M+Na]+ 230.02462 149.4
[M-H]- 206.02812 146.9
[M+NH4]+ 225.06922 159.5
[M+K]+ 245.99856 145.9
[M+H-H2O]+ 190.03266 134.5
[M+HCOO]- 252.03360 157.4
[M+CH3COO]- 266.04925 182.1
[M+Na-2H]- 228.01007 144.3
[M]+ 207.03485 140.0
[M]- 207.03595 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