CID 54687621

Oprea1_337806

Structural Information

Molecular Formula
C16H16N2O4S2
SMILES
CC1=C(SC2=C1C(=C(S(=O)(=O)N2C)C(=O)NC3=CC=CC=C3)O)C
InChI
InChI=1S/C16H16N2O4S2/c1-9-10(2)23-16-12(9)13(19)14(24(21,22)18(16)3)15(20)17-11-7-5-4-6-8-11/h4-8,19H,1-3H3,(H,17,20)
InChIKey
XXAWYHRGGJFCLJ-UHFFFAOYSA-N
Compound name
4-hydroxy-1,5,6-trimethyl-2,2-dioxo-N-phenylthieno[2,3-c]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

364.05515 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.062426 177.4
[M+Na]+ 387.044368 188.0
[M-H]- 363.047874 183.0
[M+NH4]+ 382.088973 193.7
[M+K]+ 403.018308 182.0
[M+H-H2O]+ 347.052410 172.3
[M+HCOO]- 409.053351 188.0
[M+CH3COO]- 423.069001 212.2
[M+Na-2H]- 385.029816 178.1
[M]+ 364.05460142 182.8
[M]- 364.05569858 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.