Systematic / IUPAC Name: 3-(1-{2-[(2R)-4-Benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-1,1-dimethylurea
ID: Reference3064
Other Names: Urea, N'-(1-{2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-N,N-dimethyl-
Formula: C33H38F2N4O3
SR144190 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 2 |
No. of Spectra | 184 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI; APCI |
Analyzers | FT |
Last Modification | 9/29/2015 2:27:53 PM |
InChI | InChI=1S/C33H38F2N4O3/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25/h3-14,23H,15-22,24H2,1-2H3,(H,36,41)/t33-/m0/s1 |
InChI Key | QNLIUVLFRVYNCV-XIFFEERXSA-N |
Canonical SMILES | CN(C)C(=O)NC1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5 |
CAS | |
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Other Names | Urea, N'-(1-{2-[(2R)-4-benzoyl-2-(3,4-difluorophenyl)-2-morpholinyl]ethyl}-4-phenyl-4-piperidinyl)-N,N-dimethyl- |
PubChem | 9916195 |
ChEMBL | CHEMBL354422 |
ChemSpider | 8091843 |