Antrafenine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001829
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001829 contains the MS mass spectrum of Antrafenine with the InChIkey NWGGKKGAFZIVBJ-UHFFFAOYSA-N.
Source: Antrafenine
Chemical Info
| InChI | InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38) |
|---|---|
| SMILES | n(c12)ccc(Nc(c3C(=O)OCCN(C4)CCN(c(c5)cccc5C(F)(F)F)C4)cccc3)c1ccc(C(F)(F)F)c2 |
| InChI Key | NWGGKKGAFZIVBJ-UHFFFAOYSA-N |
| Molecular Formula | C30H26F6N4O2 |
| Exact Mass | 588.196 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 63e70286-a553-46f0-8610-7a1b7b4ba66c |
| Package id | msbnk-waters-wa001829 |
| Resource type | HTML |
| State | active |