CID 54677412

2h-thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4-hydroxy-2-methyl-n-2-pyridinyl-6-trifluoromethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C14H10F3N3O4S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=C(S2)C(F)(F)F)O)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C14H10F3N3O4S2/c1-20-10(13(22)19-9-4-2-3-5-18-9)11(21)12-7(26(20,23)24)6-8(25-12)14(15,16)17/h2-6,21H,1H3,(H,18,19,22)
InChIKey
FHZDNBBQTQLLLV-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-yl-6-(trifluoromethyl)thieno[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

405.00647 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.01375 183.5
[M+Na]+ 427.99569 190.2
[M+NH4]+ 423.04029 187.7
[M+K]+ 443.96963 183.9
[M-H]- 403.99919 179.8
[M+Na-2H]- 425.98114 186.3
[M]+ 405.00592 183.8
[M]- 405.00702 183.8
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