Celiprolol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001942
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001942 contains the MS mass spectrum of Celiprolol with the InChIkey JOATXPAWOHTVSZ-UHFFFAOYSA-N.
Source: Celiprolol
Chemical Info
| InChI | InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26) |
|---|---|
| SMILES | CCN(CC)C(=O)Nc(c1)cc(C(C)=O)c(OCC(O)CNC(C)(C)C)c1 |
| InChI Key | JOATXPAWOHTVSZ-UHFFFAOYSA-N |
| Molecular Formula | C20H33N3O4 |
| Exact Mass | 379.247 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | a5bbd8c7-72fd-4b6c-8ce7-bcdafdd7a5ec |
| Package id | msbnk-waters-wa001942 |
| Resource type | HTML |
| State | active |