CID 11534399
Chembl257667
Structural Information
- Molecular Formula
- C28H26ClF4NO6
- SMILES
- CC1=C(C=CC(=C1)OCCOCCOC)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC(=CC(=C3)F)C(F)(F)F
- InChI
- InChI=1S/C28H26ClF4NO6/c1-17-11-22(39-10-9-38-8-7-37-2)4-5-24(17)34-26(35)16-40-25-6-3-20(29)15-23(25)27(36)18-12-19(28(31,32)33)14-21(30)13-18/h3-6,11-15H,7-10,16H2,1-2H3,(H,34,35)
- InChIKey
- BAWWCXDEGWTQQJ-UHFFFAOYSA-N
- Compound name
- 2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-[4-[2-(2-methoxyethoxy)ethoxy]-2-methylphenyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 584.14578 | 234.7 |
[M+Na]+ | 606.12772 | 241.3 |
[M-H]- | 582.13122 | 238.9 |
[M+NH4]+ | 601.17232 | 238.4 |
[M+K]+ | 622.10166 | 235.8 |
[M+H-H2O]+ | 566.13576 | 220.8 |
[M+HCOO]- | 628.13670 | 245.5 |
[M+CH3COO]- | 642.15235 | 256.9 |
[M+Na-2H]- | 604.11317 | 230.6 |
[M]+ | 583.13795 | 241.1 |
[M]- | 583.13905 | 241.1 |