| SpectraBase Spectrum ID |
EQhsm2u8HHl |
| Name |
Erlotinib |
| CAS Registry Number |
183321-74-6 |
| Classification |
Cytostatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
393.168856229 u |
| Formula |
C22H23N3O4 |
| InChI |
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25) |
| InChIKey |
AAKJLRGGTJKAMG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
393.443 g/mol |
| SMILES |
c1c2c(cc(c1OCCOC)OCCOC)c(ncn2)Nc1cccc(c1)C#C |
| SPLASH |
splash10-0a6u-9665000000-15e514a7a5edecdc15ab |
| 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_8167 |
