[(3R,4S)-3-[(6-Fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-morpholinylcarbonyl)-4-piperidinyl]acetic acid

enlarge

Systematic / IUPAC Name: 2-[(3R,4S)-3-[(6-Fluoro-3,4-dihydroisoquinolin-1-yl)methyl]-1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid

ID: Reference8812

Other Names: 4-Piperidineacetic acid, 3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-morpholinylcarbonyl)-, (3R,4S)-;
NAT14-502740

Formula: C22H28FN3O4

Spectral Data

[(3R,4S)-3-[(6-Fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-morpholinylcarbonyl)-4-piperidinyl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 4956
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 7:49:00 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C22H28FN3O4/c23-18-1-2-19-16(11-18)3-5-24-20(19)12-17-14-26(6-4-15(17)13-21(27)28)22(29)25-7-9-30-10-8-25/h1-2,11,15,17H,3-10,12-14H2,(H,27,28)/t15-,17-/m0/s1
InChI Key NNIYCZXCKZZKQP-RDJZCZTQSA-N
Canonical SMILES C1CN(CC(C1CC(=O)O)CC2=NCCC3=C2C=CC(=C3)F)C(=O)N4CCOCC4
CAS
Splash
Other Names 4-Piperidineacetic acid, 3-[(6-fluoro-3,4-dihydro-1-isoquinolinyl)methyl]-1-(4-morpholinylcarbonyl)-, (3R,4S)-;
NAT14-502740

In Other Databases

ChemSpider 29857469
PubChem 51136774