sunitinib_BTP_M2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000108
Dataset description:
This MassBank record with Accession MSBNK-UoB-XB000108 contains the MS2 mass spectrum of sunitinib_BTP_M2 with the InChIkey DNCVCKYIYMUMFC-UHFFFAOYSA-N.
Source: sunitinib_BTP_M2
Chemical Info
| InChI | InChI=1S/C22H27FN4O3/c1-5-27(30,6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28) |
|---|---|
| SMILES | CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C)[O-] |
| InChI Key | DNCVCKYIYMUMFC-UHFFFAOYSA-N |
| Molecular Formula | C22H27FN4O3 |
| Exact Mass | 414.207 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 4.0 International (CC BY 4.0) |
| Id | 4963b64d-c8eb-45e9-abae-6b45593e1b20 |
| Package id | msbnk-uob-xb000108 |
| Resource type | HTML |
| State | active |