Imatinib
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00363305
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00363305 contains the MS2 mass spectrum of Imatinib with the InChIkey KTUFNOKKBVMGRW-UHFFFAOYSA-N.
Source: Imatinib
Chemical Info
| InChI | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChI Key | KTUFNOKKBVMGRW-UHFFFAOYSA-N |
| Molecular Formula | C29H31N7O |
| Exact Mass | 493.259 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 | 59b0ad45-eee2-42eb-8e36-7b4515cc2d3e |
| Package id | msbnk-eawag-eq00363305 |
| Resource type | HTML |
| State | active |