| SpectraBase Compound ID | Hlm4ZPDPj9 |
|---|---|
| InChI | InChI=1S/C21H27N3O5/c1-21(2,20(28)29)17(19(26)27)22-18(25)16-14-10-6-7-11-15(14)24(23-16)12-13-8-4-3-5-9-13/h6-7,10-11,13,17H,3-5,8-9,12H2,1-2H3,(H,22,25)(H,26,27)(H,28,29) |
| InChIKey | XOHVSBZMRVJHQW-UHFFFAOYSA-N |
| Mol Weight | 401.46 g/mol |
| Molecular Formula | C21H27N3O5 |
| Exact Mass | 401.195071 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AbPrtto0SfC |
|---|---|
| Name | MAB-CHMINACA metabolite M7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N3O5 |
| InChI | InChI=1S/C21H27N3O5/c1-21(2,20(28)29)17(19(26)27)22-18(25)16-14-10-6-7-11-15(14)24(23-16)12-13-8-4-3-5-9-13/h6-7,10-11,13,17H,3-5,8-9,12H2,1-2H3,(H,22,25)(H,26,27)(H,28,29) |
| InChIKey | XOHVSBZMRVJHQW-UHFFFAOYSA-N |
| Molecular Weight | 401.463 g/mol |
| SMILES | N(C(c1c2ccccc2[n](n1)CC1CCCCC1)=O)C(C(C(O)=O)(C)C)C(O)=O |
| SPLASH | splash10-0a4m-6892000000-96d63794df6ead1c4d0e |
| Source of Spectrum | SWG-33-4333-0 |
| Synonyms | ADB-CHMINACA metabolite M7 3-(1-(cyclohexylmethyl)-1H-indazole-3-carboxamido)-2,2-dimethylsuccinic acid |
| Wiley ID | 1810949 |