atmospheric pressure chemical ionisation mass...
URL: https://www.chemotion-repository.net/inchikey/ABSKKDIQFQWBSP-MELYQEHWSA-N/CHMO0000473
Dataset description:
dataset for atmospheric pressure chemical ionisation mass spectrometry (APCI MS)\n\n
Source: atmospheric pressure chemical ionisation mass spectrometry (APCI MS)
Chemical Info
| InChI | InChI=1S/C28H29N3O4/c1-16-25(29-26(32)17-10-12-18(13-11-17)31(2)3)24-22(14-19(34-4)15-23(24)35-5)28(16)21-9-7-6-8-20(21)27(33)30-28/h6-16,25H,1-5H3,(H,29,32)(H,30,33)/t16-,25-,28+/m1/s1 |
|---|---|
| SMILES | COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)N(C)C)C |
| InChI Key | ABSKKDIQFQWBSP-MELYQEHWSA-N |
| Molecular Formula | C28H29N3O4 |
| Exact Mass | 471.548 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 44c28f4f-e81b-4995-87b8-8db3b144f890 |
| Package id | 10-14272-abskkdiqfqwbsp-melyqehwsa-n-chmo0000473 |
| Resource type | HTML |
| State | active |