SpectraBase Spectrum ID |
JEjKvG5SB0a |
Name |
N-[3-(Trifluoromethyl)benzyl]-N-(3-iodophenyl)-1-(2-phenylethyl)piperidin-4-amine |
Classification |
Fentanyl opioid |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
564.124928399 u |
Formula |
C27H28F3IN2 |
InChI |
InChI=1S/C27H28F3IN2/c28-27(29,30)23-9-4-8-22(18-23)20-33(26-11-5-10-24(31)19-26)25-13-16-32(17-14-25)15-12-21-6-2-1-3-7-21/h1-11,18-19,25H,12-17,20H2 |
InChIKey |
MLGDEDCTFUUIHX-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
564.435 g/mol |
Nominal Mass |
564 u |
Quality |
999 |
Retention Index |
3302 |
SMILES |
C1(N(C=2C=C(C=CC2)I)CC=2C=C(C(F)(F)F)C=CC2)CCN(CC1)CCC=1C=CC=CC1 |
SPLASH |
splash10-0595-9610100000-72a9c9c5859448dbef20 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Fentanyl(-propionyl+[3-(trifluoromethyl)benzyl]-phenyl+(3-iodophenyl)) |
Technique |
GC/MS |
Wiley ID |
DD2024_033924 |