| SpectraBase Spectrum ID |
9NsqOYlMX9I |
| Name |
Thiethylperazine MS2 |
| CAS Registry Number |
1420-55-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 400.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H29N3S2 |
| InChI |
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3 |
| InChIKey |
XCTYLCDETUVOIP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
CCSC1=CC2=C(SC3=CC=CC=C3N2CCCN2CCN(CC2)C)C=C1 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
