| SpectraBase Compound ID | 48Xp07uAd1k |
|---|---|
| InChI | InChI=1S/C25H33FN4O2Si/c1-33(2,3)29-24(31)21(18-19-12-6-4-7-13-19)27-25(32)23-20-14-8-9-15-22(20)30(28-23)17-11-5-10-16-26/h4,6-9,12-15,21H,5,10-11,16-18H2,1-3H3,(H,27,32)(H,29,31)/t21-/m1/s1 |
| InChIKey | OTMJYDMBLFAUFE-OAQYLSRUSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C25H33FN4O2Si |
| Exact Mass | 468.235681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FRK5ZKgMwQ9 |
|---|---|
| Name | PX-2 TMS |
| Classification | Indazole cannabinoid designer drug derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 468.235681015 u |
| Formula | C25H33FN4O2Si |
| InChI | InChI=1S/C25H33FN4O2Si/c1-33(2,3)29-24(31)21(18-19-12-6-4-7-13-19)27-25(32)23-20-14-8-9-15-22(20)30(28-23)17-11-5-10-16-26/h4,6-9,12-15,21H,5,10-11,16-18H2,1-3H3,(H,27,32)(H,29,31)/t21-/m1/s1 |
| InChIKey | OTMJYDMBLFAUFE-OAQYLSRUSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 468.648 g/mol |
| Nominal Mass | 468 u |
| Quality | 988 |
| Retention Index | 3665 |
| SMILES | C=1(C=2C(N(N1)CCCCCF)=CC=CC2)C(N[C@@](C(N[Si](C)(C)C)=O)(CC=1C=CC=CC1)[H])=O |
| SPLASH | splash10-0h3r-2983000000-d22245f64c3a2683b5e5 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 5-Fluoro APP-PINACA TMS 1-(5-fluoropentyl)-N-((2R)-1-oxo-3-phenyl-1-((trimethylsilyl)amino)propan-2-yl)-1H-indazole-\r3-carboxamide |
| Technique | GC/MS |
| Wiley ID | DD2024_021937 |