| SpectraBase Compound ID | 6SyHxT65SzM |
|---|---|
| InChI | InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(25)10-8-13/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,21,26)(H,22,27)/t13?,14?,17-/m0/s1 |
| InChIKey | GAXQKKYBSIFRJX-KVULBXGLSA-N |
| Mol Weight | 372.47 g/mol |
| Molecular Formula | C20H28N4O3 |
| Exact Mass | 372.216141 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F3BpDpZHxmr |
|---|---|
| Name | AB-CHMINACA metabolite M1A |
| Catalog Number | 16387 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N4O3 |
| InChI | InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(25)10-8-13/h3-6,12-14,17,25H,7-11H2,1-2H3,(H2,21,26)(H,22,27)/t13?,14?,17-/m0/s1 |
| InChIKey | GAXQKKYBSIFRJX-KVULBXGLSA-N |
| Molecular Weight | 372.469 g/mol |
| SMILES | N(C(c1n[n](CC2CCC(CC2)O)c2ccccc12)=O)[C@](C(N)=O)(C(C)C)[H] |
| SPLASH | splash10-0a6r-5795000000-7e9efa71d17965af9e9f |
| Source of Spectrum | CAY-2023-1374-0 |
| Wiley ID | 1889311 |