Nintedanib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01101002
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01101002 contains the MS2 mass spectrum of Nintedanib with the InChIkey CPMDPSXJELVGJG-UHFFFAOYSA-N.
Source: Nintedanib
Chemical Info
| InChI | InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O |
| InChI Key | CPMDPSXJELVGJG-UHFFFAOYSA-N |
| Molecular Formula | C31H33N5O4 |
| Exact Mass | 539.253 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 2e1932ae-6ea8-45c3-b3e7-fc85acb2ec6f |
| Package id | msbnk-eawag-eq01101002 |
| Resource type | HTML |
| State | active |