9-OH-Risperidone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156801
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU156801 contains the MS2 mass spectrum of 9-OH-Risperidone with the InChIkey PMXMIIMHBWHSKN-UHFFFAOYSA-N.
Source: 9-OH-Risperidone
Chemical Info
| InChI | InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3 |
|---|---|
| SMILES | CC1=C(CCN2CCC(CC2)C2=NOC3=CC(F)=CC=C23)C(=O)N2CCCC(O)C2=N1 |
| InChI Key | PMXMIIMHBWHSKN-UHFFFAOYSA-N |
| Molecular Formula | C23H27FN4O3 |
| Exact Mass | 426.207 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | d529448e-0fea-4b47-b913-5fdc1d9f39de |
| Package id | msbnk-athens_univ-au156801 |
| Resource type | HTML |
| State | active |