Pipotiazine (oxide)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002040
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002040 contains the MS mass spectrum of Pipotiazine (oxide) with the InChIkey JOMHSQGEWSNUKU-UHFFFAOYSA-N.
Source: Pipotiazine (oxide)
Chemical Info
| InChI | InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3 |
|---|---|
| SMILES | OCCC(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1 |
| InChI Key | JOMHSQGEWSNUKU-UHFFFAOYSA-N |
| Molecular Formula | C24H33N3O3S2 |
| Exact Mass | 475.196 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 4.0 International (CC BY-NC 4.0) |
| Id | b8c4d826-7cb4-40c6-bb27-85ac776ee47b |
| Package id | msbnk-waters-wa002040 |
| Resource type | HTML |
| State | active |