| SpectraBase Spectrum ID |
8yjQifamdty |
| Name |
Delavirdine MS2 |
| CAS Registry Number |
136817-59-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 457.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H32N6O2S |
| InChI |
InChI=1S/C23H32N6O2S/c1-16(2)25-21-6-5-9-24-23(21)29-12-10-28(11-13-29)17(3)22-15-18-14-19(27-32(4,30)31)7-8-20(18)26-22/h5-9,14-17,25-27H,10-13H2,1-4H3 |
| InChIKey |
IPUBHBAWBLONOD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C=C2C=C(C(N3CCN(C=4C(=CC=CN4)NC(C)C)CC3)C)NC2=CC1)S(=O)(=O)C |
| 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 |
