CID 3043808

Jdl 346

Structural Information

Molecular Formula
C19H12F3N3O2S
SMILES
C1=CC=C(C=C1)C2=NS(=O)(=O)C3=C(N2C4=CC=CC(=C4)C(F)(F)F)C=CN=C3
InChI
InChI=1S/C19H12F3N3O2S/c20-19(21,22)14-7-4-8-15(11-14)25-16-9-10-23-12-17(16)28(26,27)24-18(25)13-5-2-1-3-6-13/h1-12H
InChIKey
XCHFMHGGTLVQFF-UHFFFAOYSA-N
Compound name
3-phenyl-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

403.06024 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.06752 192.0
[M+Na]+ 426.04946 203.9
[M-H]- 402.05296 195.2
[M+NH4]+ 421.09406 201.9
[M+K]+ 442.02340 195.6
[M+H-H2O]+ 386.05750 178.5
[M+HCOO]- 448.05844 201.2
[M+CH3COO]- 462.07409 200.7
[M+Na-2H]- 424.03491 196.7
[M]+ 403.05969 190.8
[M]- 403.06079 190.8
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

No patent data available for this compound.