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 207.1
[M+Na]+ 472.09377 222.5
[M-H]- 448.09727 219.9
[M+NH4]+ 467.13837 220.1
[M+K]+ 488.06771 218.6
[M+H-H2O]+ 432.10181 201.3
[M+HCOO]- 494.10275 226.3
[M+CH3COO]- 508.11840 219.6
[M+Na-2H]- 470.07922 203.9
[M]+ 449.10400 223.0
[M]- 449.10510 223.0
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.