CID 1890211

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

Structural Information

Molecular Formula
C20H16FN3O2S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)F)/SC3=N2
InChI
InChI=1S/C20H16FN3O2S/c1-2-10-26-16-8-6-14(7-9-16)18-22-20-24(23-18)19(25)17(27-20)12-13-4-3-5-15(21)11-13/h3-9,11-12H,2,10H2,1H3/b17-12+
InChIKey
XXSKESUYTZELHC-SFQUDFHCSA-N
Compound name
(5E)-5-[(3-fluorophenyl)methylidene]-2-(4-propoxyphenyl)-[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

381.09473 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10201 188.8
[M+Na]+ 404.08395 202.2
[M-H]- 380.08745 196.7
[M+NH4]+ 399.12855 202.6
[M+K]+ 420.05789 194.6
[M+H-H2O]+ 364.09199 179.6
[M+HCOO]- 426.09293 206.5
[M+CH3COO]- 440.10858 200.4
[M+Na-2H]- 402.06940 187.1
[M]+ 381.09418 195.8
[M]- 381.09528 195.8
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.