CID 2139187

(5e)-2-(3-methyl-1-benzofuran-2-yl)-5-(3,4,5-trimethoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one

Structural Information

Molecular Formula
C23H19N3O5S
SMILES
CC1=C(OC2=CC=CC=C12)C3=NN4C(=O)/C(=C\C5=CC(=C(C(=C5)OC)OC)OC)/SC4=N3
InChI
InChI=1S/C23H19N3O5S/c1-12-14-7-5-6-8-15(14)31-19(12)21-24-23-26(25-21)22(27)18(32-23)11-13-9-16(28-2)20(30-4)17(10-13)29-3/h5-11H,1-4H3/b18-11+
InChIKey
BLYSNKMBMGGWMD-WOJGMQOQSA-N
Compound name
(5E)-2-(3-methyl-1-benzofuran-2-yl)-5-[(3,4,5-trimethoxyphenyl)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

449.10455 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.11183 206.9
[M+Na]+ 472.09377 223.4
[M+NH4]+ 467.13837 213.3
[M+K]+ 488.06771 219.8
[M-H]- 448.09727 212.6
[M+Na-2H]- 470.07922 212.1
[M]+ 449.10400 211.5
[M]- 449.10510 211.5
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.