CJ-013790
2869
Reference
CJ-013790 Structure
Systematic / IUPAC Name: 1-{(1S,4R)-4-[3-(4-Fluorophenoxy)phenoxy]-2-cyclopenten-1-yl}-1-hydroxyurea
ID: Reference2869
Other Names: Urea, N-[(1S,4R)-4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy-
Formula: C18H17FN2O4
Spectral Data
CJ-013790 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 | 1 |
| No. of Spectra | 117 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 6/29/2015 9:06:48 AM |
Identificators
| InChI | InChI=1S/C18H17FN2O4/c19-12-4-7-14(8-5-12)24-15-2-1-3-16(11-15)25-17-9-6-13(10-17)21(23)18(20)22/h1-9,11,13,17,23H,10H2,(H2,20,22)/t13-,17+/m1/s1 |
| InChI Key | CJFQUWMJNVTKDJ-DYVFJYSZSA-N |
| Canonical SMILES | C1C(C=CC1OC2=CC=CC(=C2)OC3=CC=C(C=C3)F)N(C(=O)N)O |
| CAS | 179465715 |
| Splash | |
| Other Names | Urea, N-[(1S,4R)-4-[3-(4-fluorophenoxy)phenoxy]-2-cyclopenten-1-yl]-N-hydroxy- |
In Other Databases
| PubChem | 53316393 |
| ChemSpider | 29786986 |
| ChEMBL | CHEMBL3183228 |