CID 58211
Brn 3010112
Structural Information
- Molecular Formula
- C16H20F3NO4
- SMILES
- CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CCC(=O)O
- InChI
- InChI=1S/C16H20F3NO4/c1-11(20-7-8-24-15(23)6-5-14(21)22)9-12-3-2-4-13(10-12)16(17,18)19/h2-4,10-11,20H,5-9H2,1H3,(H,21,22)
- InChIKey
- UJBMOABZHWABLG-UHFFFAOYSA-N
- Compound name
- 4-oxo-4-[2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethoxy]butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 348.14171 | 178.4 |
[M+Na]+ | 370.12365 | 182.6 |
[M-H]- | 346.12715 | 175.8 |
[M+NH4]+ | 365.16825 | 190.2 |
[M+K]+ | 386.09759 | 179.9 |
[M+H-H2O]+ | 330.13169 | 168.8 |
[M+HCOO]- | 392.13263 | 193.6 |
[M+CH3COO]- | 406.14828 | 212.1 |
[M+Na-2H]- | 368.10910 | 177.6 |
[M]+ | 347.13388 | 176.8 |
[M]- | 347.13498 | 176.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.