| SpectraBase Spectrum ID |
DGCoLnBcOSF |
| Name |
Thenalidine |
| CAS Registry Number |
86-12-4 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
286.150369890 u |
| Formula |
C17H22N2S |
| InChI |
InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3 |
| InChIKey |
KLOHYVOVXOUKQI-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
286.437 g/mol |
| Nominal Mass |
286 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
287.158 |
| SMILES |
C=1(SC=CC1)CN(C1CCN(CC1)C)C1=CC=CC=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_933.2 |
