CID 3061547
1h-imidazole, 1-(3-(2,4-dichlorophenyl)-3-hexyloxiranyl)-, cis-, ethanedioate
Structural Information
- Molecular Formula
- C17H20Cl2N2O
- SMILES
- CCCCCC[C@]1([C@@H](O1)N2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
- InChI
- InChI=1S/C17H20Cl2N2O/c1-2-3-4-5-8-17(14-7-6-13(18)11-15(14)19)16(22-17)21-10-9-20-12-21/h6-7,9-12,16H,2-5,8H2,1H3/t16-,17-/m1/s1
- InChIKey
- OAAMKESZATZWOM-IAGOWNOFSA-N
- Compound name
- 1-[(2R,3R)-3-(2,4-dichlorophenyl)-3-hexyloxiran-2-yl]imidazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 339.10256 | 175.4 |
[M+Na]+ | 361.08450 | 186.1 |
[M-H]- | 337.08800 | 182.2 |
[M+NH4]+ | 356.12910 | 185.4 |
[M+K]+ | 377.05844 | 180.4 |
[M+H-H2O]+ | 321.09254 | 167.1 |
[M+HCOO]- | 383.09348 | 186.4 |
[M+CH3COO]- | 397.10913 | 185.9 |
[M+Na-2H]- | 359.06995 | 177.3 |
[M]+ | 338.09473 | 183.9 |
[M]- | 338.09583 | 183.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.