| SpectraBase Spectrum ID |
L3SWtGuIVEz |
| Name |
Bosutinib MS2 |
| CAS Registry Number |
380843-75-4 |
| Comments |
F: ITMS + c ESI d w Full ms2 530.03 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C26H29Cl2N5O3 |
| InChI |
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31) |
| InChIKey |
UBPYILGKFZZVDX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=C(C=C(C(=C1)OC)Cl)Cl)C1=C2C(=NC=C1C#N)C=C(C(=C2)OC)OCCCN1CCN(CC1)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 |
