CID 118753142
Oxymetazoline metabolite m1
Structural Information
- Molecular Formula
- C16H24N2O2
- SMILES
- CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)CO
- InChI
- InChI=1S/C16H24N2O2/c1-10-7-13(16(3,4)9-19)15(20)11(2)12(10)8-14-17-5-6-18-14/h7,19-20H,5-6,8-9H2,1-4H3,(H,17,18)
- InChIKey
- CVRZLTUKNRORBG-UHFFFAOYSA-N
- Compound name
- 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethylphenol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.19106 | 169.0 |
[M+Na]+ | 299.17300 | 176.2 |
[M-H]- | 275.17650 | 169.5 |
[M+NH4]+ | 294.21760 | 182.9 |
[M+K]+ | 315.14694 | 171.0 |
[M+H-H2O]+ | 259.18104 | 162.1 |
[M+HCOO]- | 321.18198 | 183.6 |
[M+CH3COO]- | 335.19763 | 195.3 |
[M+Na-2H]- | 297.15845 | 169.1 |
[M]+ | 276.18323 | 167.5 |
[M]- | 276.18433 | 167.5 |
Literature stripe
Patent stripe
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