| SpectraBase Spectrum ID |
9Cp3bl2tBOl |
| Name |
Erlotinib TFA |
| Classification |
Cytostatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
489.151155304 u |
| Formula |
C24H22N3O5F3 |
| InChI |
InChI=1S/C24H22F3N3O5/c1-4-16-6-5-7-17(12-16)30(23(31)24(25,26)27)22-18-13-20(34-10-8-32-2)21(35-11-9-33-3)14-19(18)28-15-29-22/h1,5-7,12-15H,8-11H2,2-3H3 |
| InChIKey |
ZWILUCLVNVSLQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
489.451 g/mol |
| SMILES |
c1c2c(cc(c1OCCOC)OCCOC)c(ncn2)N(c1cccc(c1)C#C)C(=O)C(F)(F)F |
| SPLASH |
splash10-0ab9-9423400000-fd23ddac9e315b686cd8 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8169 |
