| SpectraBase Compound ID | DowMyLbIXv9 |
|---|---|
| InChI | InChI=1S/C20H29N3O4/c1-20(2,3)17(19(26)27-4)21-18(25)16-14-10-6-7-11-15(14)23(22-16)12-8-5-9-13-24/h6-7,10-11,17,24H,5,8-9,12-13H2,1-4H3,(H,21,25)/t17-/m1/s1 |
| InChIKey | NSZKXPRDEZMVDK-QGZVFWFLSA-N |
| Mol Weight | 375.47 g/mol |
| Molecular Formula | C20H29N3O4 |
| Exact Mass | 375.215806 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 54kPF39qrI |
|---|---|
| Name | 5-fluoro ADB metabolite 2 |
| Catalog Number | 20173 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29N3O4 |
| InChI | InChI=1S/C20H29N3O4/c1-20(2,3)17(19(26)27-4)21-18(25)16-14-10-6-7-11-15(14)23(22-16)12-8-5-9-13-24/h6-7,10-11,17,24H,5,8-9,12-13H2,1-4H3,(H,21,25)/t17-/m1/s1 |
| InChIKey | NSZKXPRDEZMVDK-QGZVFWFLSA-N |
| Molecular Weight | 375.469 g/mol |
| SMILES | OCCCCC[n]1nc(C(=O)N[C@@](C(C)(C)C)(C(OC)=O)[H])c2c1cccc2 |
| SPLASH | splash10-02aj-4892000000-68e99500f131ab706d10 |
| Source of Spectrum | CAY-2023-652-0 |
| Wiley ID | 1888611 |