Cetirizine N-Oxide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU212503
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU212503 contains the MS2 mass spectrum of Cetirizine N-Oxide with the InChIkey IVDOUUOLLFEMJQ-UHFFFAOYSA-N.
Source: Cetirizine N-Oxide
Chemical Info
| InChI | InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) |
|---|---|
| SMILES | OC(=O)COCC[N+]1([O-])CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1 |
| InChI Key | IVDOUUOLLFEMJQ-UHFFFAOYSA-N |
| Molecular Formula | C21H25ClN2O4 |
| Exact Mass | 404.150 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 | 2fa07416-c258-42e9-b6fa-7d80390adecd |
| Package id | msbnk-athens_univ-au212503 |
| Resource type | HTML |
| State | active |