Isavuconazole
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01098804
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01098804 contains the MS2 mass spectrum of Isavuconazole with the InChIkey DDFOUSQFMYRUQK-UHFFFAOYSA-N.
Source: Isavuconazole
Chemical Info
| InChI | InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3 |
|---|---|
| SMILES | CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O |
| InChI Key | DDFOUSQFMYRUQK-UHFFFAOYSA-N |
| Molecular Formula | C22H17F2N5OS |
| Exact Mass | 437.112 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 | 5b6ef5a6-3bd2-46ea-9b8a-b7bfedbbc69c |
| Package id | msbnk-eawag-eq01098804 |
| Resource type | HTML |
| State | active |