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 179.6
[M+Na]+ 374.03702 194.1
[M-H]- 350.04052 187.1
[M+NH4]+ 369.08162 192.4
[M+K]+ 390.01096 185.4
[M+H-H2O]+ 334.04506 169.4
[M+HCOO]- 396.04600 196.9
[M+CH3COO]- 410.06165 191.4
[M+Na-2H]- 372.02247 181.7
[M]+ 351.04725 183.9
[M]- 351.04835 183.9
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.