| SpectraBase Spectrum ID |
8pVR7N2ldI |
| Name |
Nilotinib MS2 |
| CAS Registry Number |
641571-10-0 |
| Comments |
F: ITMS + c ESI d w Full ms2 530.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C28H22F3N7O |
| InChI |
InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) |
| InChIKey |
HHZIURLSWUIHRB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=NC=CC(=N1)C1=CC=CN=C1)C1=C(C=CC(C(NC2=CC(=CC(=C2)C(F)(F)F)N2C=C(N=C2)C)=O)=C1)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 |
