SB236057A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-EPA-ENTACT_AGILENT000020
Dataset description:
This MassBank record with Accession MSBNK-EPA-ENTACT_AGILENT000020 contains the MS2 mass spectrum of SB236057A with the InChIkey WXAKEEQOWUHGCI-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3 |
|---|---|
| SMILES | CCN1CCC2(COC3C=C4CCN(C(=O)C5C=CC(=CC=5)C5=CC=C(C=C5C)C5=NN=C(C)O5)C4=CC2=3)CC1 |
| InChI Key | WXAKEEQOWUHGCI-UHFFFAOYSA-N |
| Exact Mass | 534.263 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 | Attribution 4.0 International (CC BY 4.0) |
| Id | c71f8225-c345-4c9c-87e7-2786b0d74d17 |
| Package id | msbnk-epa-entact_agilent000020 |
| Resource type | HTML |
| State | active |