Dasatinib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01069003
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01069003 contains the MS2 mass spectrum of Dasatinib with the InChIkey ZBNZXTGUTAYRHI-UHFFFAOYSA-N.
Source: Dasatinib
Chemical Info
| InChI | InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO |
| InChI Key | ZBNZXTGUTAYRHI-UHFFFAOYSA-N |
| Molecular Formula | C22H26ClN7O2S |
| Exact Mass | 487.156 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 | 8e1c8aa5-a0a5-41d2-a3ab-302bb1d8f9f5 |
| Package id | msbnk-eawag-eq01069003 |
| Resource type | HTML |
| State | active |