CID 1976405

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

Structural Information

Molecular Formula
C21H19N3O2S
SMILES
CCCOC1=CC=CC=C1/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C)S2
InChI
InChI=1S/C21H19N3O2S/c1-3-12-26-17-7-5-4-6-16(17)13-18-20(25)24-21(27-18)22-19(23-24)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3/b18-13-
InChIKey
RTKYMGQBLJWKHC-AQTBWJFISA-N
Compound name
(5Z)-2-(4-methylphenyl)-5-[(2-propoxyphenyl)methylidene]-[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

377.1198 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12708 190.0
[M+Na]+ 400.10902 206.2
[M+NH4]+ 395.15362 197.5
[M+K]+ 416.08296 198.8
[M-H]- 376.11252 194.9
[M+Na-2H]- 398.09447 198.0
[M]+ 377.11925 194.3
[M]- 377.12035 194.3
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.