CID 3043802

C 2307

Structural Information

Molecular Formula
C15H12F3N3O2S
SMILES
CCC1=NS(=O)(=O)C2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CN=C2
InChI
InChI=1S/C15H12F3N3O2S/c1-2-14-20-24(22,23)13-9-19-7-6-12(13)21(14)11-5-3-4-10(8-11)15(16,17)18/h3-9H,2H2,1H3
InChIKey
FFWVACVWBGERIH-UHFFFAOYSA-N
Compound name
3-ethyl-4-[3-(trifluoromethyl)phenyl]pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.06024 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.06752 177.2
[M+Na]+ 378.04946 189.5
[M-H]- 354.05296 177.6
[M+NH4]+ 373.09406 189.8
[M+K]+ 394.02340 182.7
[M+H-H2O]+ 338.05750 165.8
[M+HCOO]- 400.05844 186.5
[M+CH3COO]- 414.07409 209.4
[M+Na-2H]- 376.03491 181.7
[M]+ 355.05969 177.4
[M]- 355.06079 177.4
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

No patent data available for this compound.