Mirabegron
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01100601
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01100601 contains the MS2 mass spectrum of Mirabegron with the InChIkey PBAPPPCECJKMCM-UHFFFAOYSA-N.
Source: Mirabegron
Chemical Info
| InChI | InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27) |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N)O |
| InChI Key | PBAPPPCECJKMCM-UHFFFAOYSA-N |
| Molecular Formula | C21H24N4O2S |
| Exact Mass | 396.162 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 4a60a0c3-77c9-4bc3-9b2b-8e095aadeecf |
| Package id | msbnk-eawag-eq01100601 |
| Resource type | HTML |
| State | active |