| SpectraBase Compound ID | 81gXTFKmE6g |
|---|---|
| InChI | InChI=1S/C21H30ClN5O3Si/c1-29-18-8-7-14(10-17(18)22)11-24-20-16(19(23)28)12-25-21(26-20)27-9-5-6-15(27)13-30-31(2,3)4/h7-8,10,12,15H,5-6,9,11,13H2,1-4H3,(H2,23,28)(H,24,25,26) |
| InChIKey | SXCOHDSUZSMEIG-UHFFFAOYSA-N |
| Mol Weight | 464.04 g/mol |
| Molecular Formula | C21H30ClN5O3Si |
| Exact Mass | 463.180644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHlx37ntTSC |
|---|---|
| Name | Avanafil-A (-C5H4N2) TMS |
| Classification | Pharmaceutical drug artifact derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 463.180644078 u |
| Formula | C21H30ClN5O3Si |
| InChI | InChI=1S/C21H30ClN5O3Si/c1-29-18-8-7-14(10-17(18)22)11-24-20-16(19(23)28)12-25-21(26-20)27-9-5-6-15(27)13-30-31(2,3)4/h7-8,10,12,15H,5-6,9,11,13H2,1-4H3,(H2,23,28)(H,24,25,26) |
| InChIKey | SXCOHDSUZSMEIG-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 464.041 g/mol |
| Nominal Mass | 463 u |
| Quality | 965 |
| Retention Index | 3634 |
| SMILES | NC(C=1C(=NC(N2C(CCC2)CO[Si](C)(C)C)=NC1)NCC=1C=C(C(=CC1)OC)Cl)=O |
| SPLASH | splash10-03di-1519000000-f042cb8d7a515df4e9c7 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(((trimethylsilyl)oxy)methyl)pyrrolidin-1-yl)pyrimidine-5-\rcarboxamide |
| Technique | On column GC/MS |
| Wiley ID | DD2024_034469 |