CID 5905217
618072-64-3
Structural Information
- Molecular Formula
- C28H27FN2O6S
- SMILES
- CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)C)F)\O)/C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OC)C
- InChI
- InChI=1S/C28H27FN2O6S/c1-5-6-13-37-19-11-9-17(10-12-19)22-21(23(32)18-8-7-15(2)20(29)14-18)24(33)26(34)31(22)28-30-16(3)25(38-28)27(35)36-4/h7-12,14,22,32H,5-6,13H2,1-4H3/b23-21+
- InChIKey
- ZJJKGNPRIOREMH-XTQSDGFTSA-N
- Compound name
- methyl 2-[(3E)-2-(4-butoxyphenyl)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 539.16468 | 228.1 |
[M+Na]+ | 561.14662 | 235.4 |
[M-H]- | 537.15012 | 237.3 |
[M+NH4]+ | 556.19122 | 234.4 |
[M+K]+ | 577.12056 | 229.8 |
[M+H-H2O]+ | 521.15466 | 219.2 |
[M+HCOO]- | 583.15560 | 238.9 |
[M+CH3COO]- | 597.17125 | 246.0 |
[M+Na-2H]- | 559.13207 | 216.3 |
[M]+ | 538.15685 | 234.5 |
[M]- | 538.15795 | 234.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.