| SpectraBase Spectrum ID |
HAkDePSSSmm |
| Name |
Fenetylline |
| CAS Registry Number |
3736-08-1 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
341.185174999 u |
| Formula |
C18H23N5O2 |
| InChI |
InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3 |
| InChIKey |
NMCHYWGKBADVMK-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
341.415 g/mol |
| Nominal Mass |
341 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
342.192 |
| SMILES |
N(C(CC1=CC=CC=C1)C)CCN1C2=C(N(C(=O)N(C2=O)C)C)N=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1,3-dimethyl-7-[2-(1-phenylpropan-2-ylamino)ethyl]purine-2,6-dione |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_360.5 |
