| SpectraBase Spectrum ID |
HNT2QCtel1G |
| Name |
Thioproperazine |
| CAS Registry Number |
316-81-4 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
446.181018568 u |
| Formula |
C22H30N4O2S2 |
| InChI |
InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3 |
| InChIKey |
VZYCZNZBPPHOFY-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
446.628 g/mol |
| Nominal Mass |
446 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
447.188 |
| SMILES |
C1=2SC=3C(N(C2C=C(S(=O)(=O)N(C)C)C=C1)CCCN1CCN(CC1)C)=CC=CC3 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_946.9 |
