CID 5486620
Codeinone, 14-hydroxy-, phenylacetate
Structural Information
- Molecular Formula
- C26H25NO5
- SMILES
- CN1CC[C@]23[C@@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)OC(=O)CC6=CC=CC=C6
- InChI
- InChI=1S/C26H25NO5/c1-27-13-12-25-22-17-8-9-19(30-2)23(22)31-24(25)18(28)10-11-26(25,20(27)15-17)32-21(29)14-16-6-4-3-5-7-16/h3-11,20,24H,12-15H2,1-2H3/t20-,24+,25+,26-/m1/s1
- InChIKey
- CUPBBHBLYSEISG-IFKAHUTRSA-N
- Compound name
- [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] 2-phenylacetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 432.18056 | 201.1 |
[M+Na]+ | 454.16250 | 207.0 |
[M-H]- | 430.16600 | 208.1 |
[M+NH4]+ | 449.20710 | 216.8 |
[M+K]+ | 470.13644 | 203.4 |
[M+H-H2O]+ | 414.17054 | 189.4 |
[M+HCOO]- | 476.17148 | 210.2 |
[M+CH3COO]- | 490.18713 | 209.1 |
[M+Na-2H]- | 452.14795 | 203.7 |
[M]+ | 431.17273 | 204.2 |
[M]- | 431.17383 | 204.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.