CID 5895202
(5e)-2-(3-methyl-1-benzofuran-2-yl)-5-(4-propoxybenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5h)-one
Structural Information
- Molecular Formula
- C23H19N3O3S
- SMILES
- CCCOC1=CC=C(C=C1)/C=C/2\C(=O)N3C(=NC(=N3)C4=C(C5=CC=CC=C5O4)C)S2
- InChI
- InChI=1S/C23H19N3O3S/c1-3-12-28-16-10-8-15(9-11-16)13-19-22(27)26-23(30-19)24-21(25-26)20-14(2)17-6-4-5-7-18(17)29-20/h4-11,13H,3,12H2,1-2H3/b19-13+
- InChIKey
- XGTCJOQAVZSNRB-CPNJWEJPSA-N
- Compound name
- (5E)-2-(3-methyl-1-benzofuran-2-yl)-5-[(4-propoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 418.12200 | 200.4 |
[M+Na]+ | 440.10394 | 215.4 |
[M-H]- | 416.10744 | 212.6 |
[M+NH4]+ | 435.14854 | 214.7 |
[M+K]+ | 456.07788 | 209.9 |
[M+H-H2O]+ | 400.11198 | 194.2 |
[M+HCOO]- | 462.11292 | 219.7 |
[M+CH3COO]- | 476.12857 | 212.9 |
[M+Na-2H]- | 438.08939 | 197.9 |
[M]+ | 417.11417 | 213.0 |
[M]- | 417.11527 | 213.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.