Calycanthine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300258
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300258 contains the MS2 mass spectrum of Calycanthine with the InChIkey XSYCDVWYEVUDKQ-GXRSIYKFSA-N.
Source: Calycanthine
Chemical Info
| InChI | InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1 |
|---|---|
| SMILES | CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@]2(CCN4C)[C@@H]1NC1=CC=CC=C31 |
| InChI Key | XSYCDVWYEVUDKQ-GXRSIYKFSA-N |
| Molecular Formula | C22H26N4 |
| Exact Mass | 346.478 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 51c84e84-4c8e-4d3d-8b77-013b59c45ef3 |
| Package id | msbnk-riken-pr300258 |
| Resource type | HTML |
| State | active |