Cetirizine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU212401
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU212401 contains the MS2 mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-OAQYLSRUSA-N.
Source: Cetirizine
Chemical Info
| InChI | InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1 |
|---|---|
| SMILES | N1([C@@H](c2ccc(Cl)cc2)c2ccccc2)CCN(CCOCC(O)=O)CC1 |
| InChI Key | ZKLPARSLTMPFCP-OAQYLSRUSA-N |
| Molecular Formula | C21H25ClN2O3 |
| Exact Mass | 388.155 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 | 145b61f4-dbe9-4900-b359-62eaefc6a396 |
| Package id | msbnk-athens_univ-au212401 |
| Resource type | HTML |
| State | active |