CID 1887608

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

Structural Information

Molecular Formula
C20H15ClFN3O2S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC=C4Cl)F)/SC3=N2
InChI
InChI=1S/C20H15ClFN3O2S/c1-2-10-27-13-8-6-12(7-9-13)18-23-20-25(24-18)19(26)17(28-20)11-14-15(21)4-3-5-16(14)22/h3-9,11H,2,10H2,1H3/b17-11+
InChIKey
WSRAEDBMPHNWOJ-GZTJUZNOSA-N
Compound name
(5E)-5-[(2-chloro-6-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

415.05576 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.06304 196.2
[M+Na]+ 438.04498 212.4
[M+NH4]+ 433.08958 203.2
[M+K]+ 454.01892 204.6
[M-H]- 414.04848 199.6
[M+Na-2H]- 436.03043 203.2
[M]+ 415.05521 200.3
[M]- 415.05631 200.3
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.