Systematic / IUPAC Name: (1S,4S)-N-[(4-Fluorophenyl)methyl]-4-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-amine
ID: Reference12371
Other Names: NAT16-352846
Formula: C24H26FN3O
(1S,4S)-N-(4-Fluorobenzyl)-4-[1-(4-methoxyphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-amine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 770 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 3/17/2023 12:49:26 PM |
InChI | InChI=1S/C24H26FN3O/c1-16-24(17(2)28(27-16)22-10-12-23(29-3)13-11-22)19-6-9-21(14-19)26-15-18-4-7-20(25)8-5-18/h4-13,19,21,26H,14-15H2,1-3H3/t19-,21-/m1/s1 |
InChI Key | JPIHKKVXRDWSMA-TZIWHRDSSA-N |
Canonical SMILES | CC1=C(C(=NN1C2=CC=C(C=C2)OC)C)C3CC(C=C3)NCC4=CC=C(C=C4)F |
CAS | |
Splash | |
Other Names | NAT16-352846 |