Erlotinib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111010582
Dataset description:
This MassBank record with Accession MSBNK-BAFG-CSL23111010582 contains the MS2 mass spectrum of Erlotinib with the InChIkey AAKJLRGGTJKAMG-UHFFFAOYSA-N.
Source: Erlotinib
Chemical Info
| 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) |
|---|---|
| SMILES | COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC |
| InChI Key | AAKJLRGGTJKAMG-UHFFFAOYSA-N |
| Molecular Formula | C22H23N3O4 |
| Exact Mass | 393.169 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 77c87594-bc16-47fe-ad0f-783b1c0f4e73 |
| Package id | msbnk-bafg-csl23111010582 |
| Resource type | HTML |
| State | active |