| SpectraBase Compound ID | DrggP7Mqpfs |
|---|---|
| InChI | InChI=1S/C26H35N7O3Si/c1-35-21-10-8-19(9-11-21)15-29-24-22(25(34)30-17-23-27-12-6-13-28-23)16-31-26(32-24)33-14-5-7-20(33)18-36-37(2,3)4/h6,8-13,16,20H,5,7,14-15,17-18H2,1-4H3,(H,30,34)(H,29,31,32) |
| InChIKey | IQPBTYPOPLHCOW-UHFFFAOYSA-N |
| Mol Weight | 521.7 g/mol |
| Molecular Formula | C26H35N7O3Si |
| Exact Mass | 521.257065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2l10KglVcmG |
|---|---|
| Name | Avanafil-A (-Cl) TMS |
| Classification | Pharmaceutical drug artifact derivative |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 521.257064547 u |
| Formula | C26H35N7O3Si |
| InChI | InChI=1S/C26H35N7O3Si/c1-35-21-10-8-19(9-11-21)15-29-24-22(25(34)30-17-23-27-12-6-13-28-23)16-31-26(32-24)33-14-5-7-20(33)18-36-37(2,3)4/h6,8-13,16,20H,5,7,14-15,17-18H2,1-4H3,(H,30,34)(H,29,31,32) |
| InChIKey | IQPBTYPOPLHCOW-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 521.697 g/mol |
| Nominal Mass | 521 u |
| Quality | 840 |
| Retention Index | 4281 |
| SMILES | C=1(C(C(NCC2=NC=CC=N2)=O)=CN=C(N2C(CO[Si](C)(C)C)CCC2)N1)NCC1=CC=C(C=C1)OC |
| SPLASH | splash10-014i-2512900000-72fc90d786cb04c19893 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)-2-(2-(((trimethylsilyl)oxy)methyl)pyrrolidin-1-yl)pyrimidine-5-\rcarboxamide |
| Technique | GC/MS |
| Wiley ID | DD2024_034468 |