CID 16429278

618073-59-9

Structural Information

Molecular Formula
C20H16FN3O2S
SMILES
CC(C)OC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=C(C=C4)F)/SC3=N2
InChI
InChI=1S/C20H16FN3O2S/c1-12(2)26-16-9-5-14(6-10-16)18-22-20-24(23-18)19(25)17(27-20)11-13-3-7-15(21)8-4-13/h3-12H,1-2H3/b17-11+
InChIKey
BZRZBHRKQYSGIX-GZTJUZNOSA-N
Compound name
(5E)-5-[(4-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 189.0
[M+Na]+ 404.08395 203.7
[M+NH4]+ 399.12855 195.6
[M+K]+ 420.05789 197.5
[M-H]- 380.08745 192.1
[M+Na-2H]- 402.06940 196.0
[M]+ 381.09418 192.4
[M]- 381.09528 192.4
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.