CID 16429334

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

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
CC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC(=C4)OC)OC)/SC3=N2
InChI
InChI=1S/C20H17N3O3S/c1-12-4-6-13(7-5-12)18-21-20-23(22-18)19(24)17(27-20)11-14-10-15(25-2)8-9-16(14)26-3/h4-11H,1-3H3/b17-11+
InChIKey
XIIVZSGRXWCUIW-GZTJUZNOSA-N
Compound name
(5E)-5-[(2,5-dimethoxyphenyl)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

379.09906 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10634 189.9
[M+Na]+ 402.08828 206.1
[M+NH4]+ 397.13288 197.0
[M+K]+ 418.06222 199.7
[M-H]- 378.09178 194.5
[M+Na-2H]- 400.07373 197.5
[M]+ 379.09851 194.1
[M]- 379.09961 194.1
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.