| SpectraBase Spectrum ID |
4jP71SkbJGy |
| Name |
Candesartan MS2 |
| CAS Registry Number |
139481-59-7 |
| Comments |
F: ITMS + c ESI d w Full ms2 441.00 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C24H20N6O3 |
| InChI |
InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) |
| InChIKey |
HTQMVQVXFRQIKW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1N=NC(C2=C(C3=CC=C(CN4C(=NC=5C4=C(C(=O)O)C=CC5)OCC)C=C3)C=CC=C2)=N1 |
| 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 |
