| SpectraBase Compound ID | DgMwGWtNkuq |
|---|---|
| InChI | InChI=1S/C18H24N4O4/c1-18(2,3)15(16(19)25)20-17(26)14-11-7-4-5-8-12(11)22(21-14)10-6-9-13(23)24/h4-5,7-8,15H,6,9-10H2,1-3H3,(H2,19,25)(H,20,26)(H,23,24)/t15-/m1/s1 |
| InChIKey | IXWOIEDYLLODPX-OAHLLOKOSA-N |
| Mol Weight | 360.41 g/mol |
| Molecular Formula | C18H24N4O4 |
| Exact Mass | 360.179755 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2AqPsnavya |
|---|---|
| Name | ADB-BUTINACA N-butanoic acid metabolite |
| Catalog Number | 30294 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24N4O4 |
| InChI | InChI=1S/C18H24N4O4/c1-18(2,3)15(16(19)25)20-17(26)14-11-7-4-5-8-12(11)22(21-14)10-6-9-13(23)24/h4-5,7-8,15H,6,9-10H2,1-3H3,(H2,19,25)(H,20,26)(H,23,24)/t15-/m1/s1 |
| InChIKey | IXWOIEDYLLODPX-OAHLLOKOSA-N |
| Molecular Weight | 360.414 g/mol |
| SMILES | N(C(c1n[n](CCCC(O)=O)c2c1cccc2)=O)[C@](C(N)=O)(C(C)(C)C)[H] |
| SPLASH | splash10-0005-9500000000-744bb7c701aa0e0655c0 |
| Source of Spectrum | CAY-2023-244-0 |
| Synonyms | ADB-BINACA N-butanoic acid metabolite |
| Wiley ID | 1888210 |