CID 5916759

606956-01-8

Structural Information

Molecular Formula
C18H10FN3O2S
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CC(=CC=C4)F)/SC3=NC2=O
InChI
InChI=1S/C18H10FN3O2S/c19-13-8-4-5-11(9-13)10-14-17(24)22-18(25-14)20-16(23)15(21-22)12-6-2-1-3-7-12/h1-10H/b14-10-
InChIKey
MVCWNDSUVLESAA-UVTDQMKNSA-N
Compound name
(2Z)-2-[(3-fluorophenyl)methylidene]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.0478 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.05508 179.0
[M+Na]+ 374.03702 196.6
[M+NH4]+ 369.08162 186.1
[M+K]+ 390.01096 187.4
[M-H]- 350.04052 183.0
[M+Na-2H]- 372.02247 188.5
[M]+ 351.04725 183.2
[M]- 351.04835 183.2
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.