CID 1782010

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

Structural Information

Molecular Formula
C20H16FN3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=CC=C4F)/SC3=N2
InChI
InChI=1S/C20H16FN3O2S/c1-12(2)26-15-9-7-13(8-10-15)18-22-20-24(23-18)19(25)17(27-20)11-14-5-3-4-6-16(14)21/h3-12H,1-2H3/b17-11+
InChIKey
JKRQJLGXQHIRNR-GZTJUZNOSA-N
Compound name
(5E)-5-[(2-fluorophenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[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

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10201 188.9
[M+Na]+ 404.08395 201.8
[M-H]- 380.08745 196.9
[M+NH4]+ 399.12855 202.6
[M+K]+ 420.05789 194.8
[M+H-H2O]+ 364.09199 179.9
[M+HCOO]- 426.09293 205.5
[M+CH3COO]- 440.10858 200.3
[M+Na-2H]- 402.06940 186.2
[M]+ 381.09418 195.4
[M]- 381.09528 195.4
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.