Siponimod
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101204
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01101204 contains the MS2 mass spectrum of Siponimod with the InChIkey KIHYPELVXPAIDH-UHFFFAOYSA-N.
Source: Siponimod
Chemical Info
| InChI | InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36) |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)C(=NOCC2=CC(=C(C=C2)C3CCCCC3)C(F)(F)F)C)CN4CC(C4)C(=O)O |
| InChI Key | KIHYPELVXPAIDH-UHFFFAOYSA-N |
| Molecular Formula | C29H35F3N2O3 |
| Exact Mass | 516.260 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 | 00a240aa-b71d-4359-8133-99026fd72bf6 |
| Package id | msbnk-eawag-eq01101204 |
| Resource type | HTML |
| State | active |