APP-PICA
5990
Reference
APP-PICA Structure
Systematic / IUPAC Name: (S)-N-(1-Amino-1-oxo-3-phenylpropan-2-yl)-1-pentyl-1H-indole-3-carboxamide
ID: Reference5990
Other Names:
Formula: C23H27N3O2
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
APP-PICA mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 212 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/15/2016 2:17:26 PM |
Identificators
| InChI | 1S/C23H27N3O2/c1-2-3-9-14-26-16-19(18-12-7-8-13-21(18)26)23(28)25-20(22(24)27)15-17-10-5-4-6-11-17/h4-8,10-13,16,20H,2-3,9,14-15H2,1H3,(H2,24,27)(H,25,28)/t20-/m0/s1 |
| InChI Key | JMCYJVVVJOZORS-FQEVSTJZSA-N |
| Canonical SMILES | O=C(N[C@H](C(N)=O)CC1=CC=CC=C1)C2=CN(CCCCC)C3=C2C=CC=C3 |
| CAS | |
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| Other Names |