CID 5897895

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

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CCOC1=CC=CC=C1/C=C/2\C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2
InChI
InChI=1S/C20H17N3O2S/c1-3-25-16-7-5-4-6-15(16)12-17-19(24)23-20(26-17)21-18(22-23)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3/b17-12+
InChIKey
ILCUPNNDQCYBBO-SFQUDFHCSA-N
Compound name
(5E)-5-[(2-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-[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

363.10416 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 185.6
[M+Na]+ 386.09338 202.0
[M+NH4]+ 381.13798 193.4
[M+K]+ 402.06732 194.9
[M-H]- 362.09688 190.6
[M+Na-2H]- 384.07883 193.9
[M]+ 363.10361 190.0
[M]- 363.10471 190.0
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.