Oxaline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000744
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000744 contains the MS2 mass spectrum of Oxaline with the InChIkey SOHAVULMGIITDH-ZXPSTKSJSA-N.
Source: Oxaline
Chemical Info
| InChI | InChI=1S/C24H25N5O4/c1-6-22(2,3)23-12-19(32-4)21(31)28-18(11-15-13-25-14-26-15)20(30)27-24(23,28)29(33-5)17-10-8-7-9-16(17)23/h6-14H,1H2,2-5H3,(H,25,26)(H,27,30)/b18-11+/t23-,24-/m0/s1 |
|---|---|
| SMILES | C=CC(C)(C)[C@]12C=C(C(=O)N3/C(=C/c4cnc[nH]4)/C(=N[C@@]23N(c2ccccc12)OC)O)OC |
| InChI Key | SOHAVULMGIITDH-ZXPSTKSJSA-N |
| Molecular Formula | C24H25N5O4 |
| Exact Mass | 447.191 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 | 48a2a003-c27b-4b87-bea6-9bb19e7e94e6 |
| Package id | msbnk-aafc-ac000744 |
| Resource type | HTML |
| State | active |