| SpectraBase Spectrum ID |
DjrYO2ee1Xv |
| Name |
Tolvaptan MS2 |
| CAS Registry Number |
150683-30-0 |
| Comments |
F: ITMS + c ESI d w Full ms2 449.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H25ClN2O3 |
| InChI |
InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) |
| InChIKey |
GYHCTFXIZSNGJT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=CC=C(C(N2C3=C(C(CCC2)O)C=C(C=C3)Cl)=O)C(=C1)C)C(C1=C(C=CC=C1)C)=O |
| 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 |
