| SpectraBase Spectrum ID |
4UjdhnbjFkx |
| Name |
Afatinib MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-455.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H19ClFN4O3 |
| InChI |
InChI=1S/C22H18ClFN4O3/c1-2-3-21(29)28-19-9-15-18(10-20(19)31-14-6-7-30-11-14)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h2-5,8-10,12,14H,1,6-7,11H2,(H-,25,26,27,28,29)/p+1/b3-2+ |
| InChIKey |
ARKWQNCBDDSYHQ-NSCUHMNNSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C2=CC(=C(C=C2N=CN1)OC1CCOC1)NC(\C=C\[CH2+])=O)C=1C=CC(=C(C1)Cl)F |
| 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 |
ms3 |
| Technique |
ITMS |
