CID 2139169

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

Structural Information

Molecular Formula
C21H19N3O3S
SMILES
CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)OC)/SC3=N2
InChI
InChI=1S/C21H19N3O3S/c1-3-11-27-16-9-7-15(8-10-16)19-22-21-24(23-19)20(25)18(28-21)13-14-5-4-6-17(12-14)26-2/h4-10,12-13H,3,11H2,1-2H3/b18-13+
InChIKey
OGQNQOITMIXJRS-QGOAFFKASA-N
Compound name
(5E)-5-[(3-methoxyphenyl)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

393.11472 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12200 193.5
[M+Na]+ 416.10394 209.1
[M+NH4]+ 411.14854 200.4
[M+K]+ 432.07788 202.3
[M-H]- 392.10744 197.9
[M+Na-2H]- 414.08939 201.0
[M]+ 393.11417 197.5
[M]- 393.11527 197.5
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.