SpectraBase Compound ID | KusJA63uTv1 |
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InChI | InChI=1S/C19H28N4O2/c1-3-5-9-13-23-16-12-8-7-10-14(16)17(22-23)19(25)21-15(18(20)24)11-6-4-2/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m1/s1 |
InChIKey | BIAATZFCIKCULE-OAHLLOKOSA-N |
Mol Weight | 344.46 g/mol |
Molecular Formula | C19H28N4O2 |
Exact Mass | 344.221226 g/mol |
SpectraBase Spectrum ID | 4xFBnkq3Xws |
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Name | ADB-PINACA isomer 3 |
Alternate Name(s) | (S)-N-(1-amino-1-oxohexan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (R)-N-(1-amino-1-oxohexan-2-yl)-1-pentyl-1H-indazole-3-carboxamide |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C19H28N4O2 |
InChI | InChI=1S/C19H28N4O2/c1-3-5-9-13-23-16-12-8-7-10-14(16)17(22-23)19(25)21-15(18(20)24)11-6-4-2/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3,(H2,20,24)(H,21,25)/t15-/m1/s1 |
InChIKey | BIAATZFCIKCULE-OAHLLOKOSA-N |
Molecular Weight | 344.459 g/mol |
SMILES | N(C(c1c2ccccc2[n](n1)CCCCC)=O)[C@@](C(N)=O)(CCCC)[H] |
SPLASH | splash10-014i-2593000000-5a7c1407cec16685bc27 |
Source of Spectrum | SWG-33-3557-0 |
Wiley ID | 1810345 |