Nicergoline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002678
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002678 contains the MS mass spectrum of Nicergoline with the InChIkey YSEXMKHXIOCEJA-FVFQAYNVSA-N.
Source: Nicergoline
Chemical Info
| InChI | InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1 |
|---|---|
| SMILES | C(C(OC)41)([H])(N(C)CC(COC(=O)c(c5)cc(Br)cn5)C4)Cc(c3)c(c2n(C)3)c1ccc2 |
| InChI Key | YSEXMKHXIOCEJA-FVFQAYNVSA-N |
| Molecular Formula | C24H26BrN3O3 |
| Exact Mass | 483.116 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 | f20eec6a-6a74-4864-bdfb-593cac22e61d |
| Package id | msbnk-waters-wa002678 |
| Resource type | HTML |
| State | active |