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 181.3
[M+Na]+ 427.99569 192.3
[M-H]- 403.99919 181.5
[M+NH4]+ 423.04029 194.2
[M+K]+ 443.96963 185.8
[M+H-H2O]+ 388.00373 173.5
[M+HCOO]- 450.00467 186.9
[M+CH3COO]- 464.02032 215.4
[M+Na-2H]- 425.98114 183.1
[M]+ 405.00592 182.5
[M]- 405.00702 182.5
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