XLR11 Degradant
5747
Reference
XLR11 Degradant Structure
Systematic / IUPAC Name: 1-[1-(5-Fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl-4-penten-1-one
ID: Reference5747
Other Names:
5-FUR-144 Degradant ;
TCMP-2201 Thermal isomer ;
4-Penten-1-one, 1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl-
Formula: C21H28FNO
Class: Drugs of Abuse/Illegal Drugs
Spectral Data
XLR11 Degradant 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 | 1 |
| No. of Spectra | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/4/2016 7:36:10 AM |
Identificators
| InChI | InChI=1S/C21H28FNO/c1-16(2)21(3,4)14-20(24)18-15-23(13-9-5-8-12-22)19-11-7-6-10-17(18)19/h6-7,10-11,15H,1,5,8-9,12-14H2,2-4H3 |
| InChI Key | BEZVSTOQIZTNCK-UHFFFAOYSA-N |
| Canonical SMILES | CC(=C)C(C)(C)CC(=O)C1=CN(C2=CC=CC=C21)CCCCCF |
| CAS | 1616469090 |
| Splash | |
| Other Names |
5-FUR-144 Degradant ; TCMP-2201 Thermal isomer ; 4-Penten-1-one, 1-[1-(5-fluoropentyl)-1H-indol-3-yl]-3,3,4-trimethyl- |