| SpectraBase Compound ID | 36tgMx0f2Mh |
|---|---|
| InChI | InChI=1S/C27H39N3O4/c1-17(2)23(26(32)29-24(18(3)4)27(33)34-5)28-25(31)21-16-30(15-19-11-7-6-8-12-19)22-14-10-9-13-20(21)22/h9-10,13-14,16-19,23-24H,6-8,11-12,15H2,1-5H3,(H,28,31)(H,29,32)/t23-,24?/m0/s1 |
| InChIKey | CZDICARUMMCZQN-UXMRNZNESA-N |
| Mol Weight | 469.6 g/mol |
| Molecular Formula | C27H39N3O4 |
| Exact Mass | 469.294057 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8IkJAQe5XUW |
|---|---|
| Name | MMB-MB-CHMICA |
| Classification | Indolcarboxamide cannabinoid designer drug |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 469.294056744 u |
| Formula | C27H39N3O4 |
| InChI | InChI=1S/C27H39N3O4/c1-17(2)23(26(32)29-24(18(3)4)27(33)34-5)28-25(31)21-16-30(15-19-11-7-6-8-12-19)22-14-10-9-13-20(21)22/h9-10,13-14,16-19,23-24H,6-8,11-12,15H2,1-5H3,(H,28,31)(H,29,32)/t23-,24?/m0/s1 |
| InChIKey | CZDICARUMMCZQN-UXMRNZNESA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 469.626 g/mol |
| Nominal Mass | 469 u |
| Quality | 987 |
| Retention Index | 3639 |
| SMILES | C=1(C=2C(N(C1)CC1CCCCC1)=CC=CC2)C(N[C@](C(NC(C(OC)=O)C(C)C)=O)(C(C)C)[H])=O |
| SPLASH | splash10-0006-1290000000-8d00a0b7e1739a8d26a5 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | methyl 2-(((2S)-2-(((1-(cyclohexylmethyl)-1H-indol-3-yl)carbonyl)amino)-3-methylbutanoyl)amino)-\r3-methylbutanoate |
| Technique | GC/MS |
| Wiley ID | DD2024_025519 |