| SpectraBase Compound ID | FY0cy8bbiWE |
|---|---|
| InChI | InChI=1S/C21H30N2O4/c1-21(2,3)18(20(26)27-4)22-19(25)16-14-23(12-8-5-9-13-24)17-11-7-6-10-15(16)17/h6-7,10-11,14,18,24H,5,8-9,12-13H2,1-4H3,(H,22,25)/t18-/m1/s1 |
| InChIKey | LZMVGZFNHSKNMW-GOSISDBHSA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C21H30N2O4 |
| Exact Mass | 374.220557 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4RDs7NsLhJI |
|---|---|
| Name | 5-fluoro MDMB-PICA metabolite 2 |
| Catalog Number | 22393 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30N2O4 |
| InChI | InChI=1S/C21H30N2O4/c1-21(2,3)18(20(26)27-4)22-19(25)16-14-23(12-8-5-9-13-24)17-11-7-6-10-15(16)17/h6-7,10-11,14,18,24H,5,8-9,12-13H2,1-4H3,(H,22,25)/t18-/m1/s1 |
| InChIKey | LZMVGZFNHSKNMW-GOSISDBHSA-N |
| Molecular Weight | 374.481 g/mol |
| SMILES | N(C(c1c[n](CCCCCO)c2ccccc12)=O)[C@@](C(C)(C)C)(C(OC)=O)[H] |
| SPLASH | splash10-001i-3591000000-084f7fa7a78d9b6a7ba5 |
| Source of Spectrum | CAY-2023-388-0 |
| Wiley ID | 1888354 |