Neoxaline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000788
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000788 contains the MS2 mass spectrum of Neoxaline with the InChIkey HHLNXXASUKFCCX-FUNOPTADSA-N.
Source: Neoxaline
Chemical Info
| InChI | InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t18-,22-,23-/m0/s1 |
|---|---|
| SMILES | C=CC(C)(C)[C@]12C[C@@H](C(=O)N3/C(=C/c4cnc[nH]4)/C(=N[C@@]23N(c2ccccc12)OC)O)O |
| InChI Key | HHLNXXASUKFCCX-FUNOPTADSA-N |
| Molecular Formula | C23H25N5O4 |
| Exact Mass | 435.191 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 | 24b33a51-2272-496e-8358-1ffa8deed4b8 |
| Package id | msbnk-aafc-ac000788 |
| Resource type | HTML |
| State | active |