| SpectraBase Compound ID | 8om84uQnAme |
|---|---|
| InChI | InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30) |
| InChIKey | WEAJZXNPAWBCOA-UHFFFAOYSA-N |
| Mol Weight | 483.96 g/mol |
| Molecular Formula | C23H26ClN7O3 |
| Exact Mass | 483.178565 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 1733c7eMB3Q |
|---|---|
| Name | Avanafil |
| CAS Registry Number | 330784-47-9 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-510.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H26ClN7O3 |
| InChI | InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30) |
| InChIKey | WEAJZXNPAWBCOA-UHFFFAOYSA-N |
| Inlet Type | UHPLC |
| Instrument Name | Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity | P |
| Ionization Type | HESI |
| Precursor Ion | [M+H]+ |
| SMILES | N(CC=1C=CC(=C(C1)Cl)OC)C1=NC(=NC=C1C(=O)NCC=1N=CC=CN1)N1CCCC1CO |
| Sample Comments | The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge | 1 |
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type | ms2 |
| Technique | HCD |