{(3R,4S)-1-(2-Ethylbutanoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid
12623
Reference
{(3R,4S)-1-(2-Ethylbutanoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid Structure
Systematic / IUPAC Name: 2-[(3R,4S)-1-(2-Ethylbutanoyl)-3-[(6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]piperidin-4-yl]acetic acid
ID: Reference12623
Other Names: NAT14-502086
Formula: C24H34N2O4
Spectral Data
{(3R,4S)-1-(2-Ethylbutanoyl)-3-[(6-methoxy-3,4-dihydro-1-isoquinolinyl)methyl]-4-piperidinyl}acetic acid 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 | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2749 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/30/2023 11:52:34 AM |
Identificators
| InChI | InChI=1S/C24H34N2O4/c1-4-16(5-2)24(29)26-11-9-17(14-23(27)28)19(15-26)13-22-21-7-6-20(30-3)12-18(21)8-10-25-22/h6-7,12,16-17,19H,4-5,8-11,13-15H2,1-3H3,(H,27,28)/t17-,19-/m0/s1 |
| InChI Key | NHGAGJBVKOMTMO-HKUYNNGSSA-N |
| Canonical SMILES | CCC(CC)C(=O)N1CCC(C(C1)CC2=NCCC3=C2C=CC(=C3)OC)CC(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT14-502086 |