CP-671305
2815
Reference
CP-671305 Structure
Systematic / IUPAC Name: 2-{4-[({[2-(1,3-Benzodioxol-5-yloxy)-3-pyridinyl]carbonyl}amino)methyl]-3-fluorophenoxy}propanoic acid
ID: Reference2815
Other Names: Propanoic acid, 2-{4-[({[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]carbonyl}amino)methyl]-3-fluorophenoxy}-
Formula: C23H19FN2O7
Spectral Data
CP-671305 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/17/2015 12:39:59 PM |
Identificators
| InChI | InChI=1S/C23H19FN2O7/c1-13(23(28)29)32-15-5-4-14(18(24)9-15)11-26-21(27)17-3-2-8-25-22(17)33-16-6-7-19-20(10-16)31-12-30-19/h2-10,13H,11-12H2,1H3,(H,26,27)(H,28,29) |
| InChI Key | CNIGFESSDPOCKS-UHFFFAOYSA-N |
| Canonical SMILES | CC(C(=O)O)OC1=CC(=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC4=C(C=C3)OCO4)F |
| CAS | 445295045 |
| Splash | |
| Other Names | Propanoic acid, 2-{4-[({[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]carbonyl}amino)methyl]-3-fluorophenoxy}- |