CID 16429338

(5e)-5-(2-fluorobenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C18H12FN3OS
SMILES
CC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=CC=C4F)/SC3=N2
InChI
InChI=1S/C18H12FN3OS/c1-11-6-8-12(9-7-11)16-20-18-22(21-16)17(23)15(24-18)10-13-4-2-3-5-14(13)19/h2-10H,1H3/b15-10+
InChIKey
MNMSXNHYKUJXQL-XNTDXEJSSA-N
Compound name
(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0685 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.07578 177.4
[M+Na]+ 360.05772 193.5
[M+NH4]+ 355.10232 185.1
[M+K]+ 376.03166 186.3
[M-H]- 336.06122 181.2
[M+Na-2H]- 358.04317 185.6
[M]+ 337.06795 181.3
[M]- 337.06905 181.3
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.