Alpelisib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101104
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01101104 contains the MS2 mass spectrum of Alpelisib with the InChIkey STUWGJZDJHPWGZ-UHFFFAOYSA-N.
Source: Alpelisib
Chemical Info
| InChI | InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29) |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)N2CCCC2C(=O)N)C3=CC(=NC=C3)C(C)(C)C(F)(F)F |
| InChI Key | STUWGJZDJHPWGZ-UHFFFAOYSA-N |
| Molecular Formula | C19H22F3N5O2S |
| Exact Mass | 441.145 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 | 037d2ef5-2ac2-4427-b27d-be352bf6343a |
| Package id | msbnk-eawag-eq01101104 |
| Resource type | HTML |
| State | active |