CID 34039
(5,5-diphenyl-5-hydroxy-4-oxopentyl)trimethylammonium iodide
Structural Information
- Molecular Formula
- C20H26NO2
- SMILES
- C[N+](C)(C)CCCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
- InChI
- InChI=1S/C20H26NO2/c1-21(2,3)16-10-15-19(22)20(23,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,23H,10,15-16H2,1-3H3/q+1
- InChIKey
- YUNMAVRJKDUIKF-UHFFFAOYSA-N
- Compound name
- (5-hydroxy-4-oxo-5,5-diphenylpentyl)-trimethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.20363 | 175.8 |
[M+Na]+ | 335.18557 | 179.4 |
[M-H]- | 311.18907 | 181.8 |
[M+NH4]+ | 330.23017 | 189.5 |
[M+K]+ | 351.15951 | 170.3 |
[M+H-H2O]+ | 295.19361 | 170.9 |
[M+HCOO]- | 357.19455 | 195.1 |
[M+CH3COO]- | 371.21020 | 202.8 |
[M+Na-2H]- | 333.17102 | 184.0 |
[M]+ | 312.19580 | 175.1 |
[M]- | 312.19690 | 175.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.