CID 527015

Acetylfentanyl

Structural Information

Molecular Formula

C₂₁H₂₆N₂O

SMILES

CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c1-18(24)23(20-10-6-3-7-11-20)21-13-16-22(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3

InChIKey

FYIUUQUPOKIKNI-UHFFFAOYSA-N

Compound name

N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 28
References: 139
Patents: 322.2045 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	323.211776	179.6
[M+Na]+	345.193718	181.4
[M-H]-	321.197224	187.3
[M+NH4]+	340.238323	191.5
[M+K]+	361.167658	177.4
[M+H-H2O]+	305.201760	168.6
[M+HCOO]-	367.202701	198.1
[M+CH3COO]-	381.218351	213.3
[M+Na-2H]-	343.179166	181.2
[M]+	322.20395142	175.4
[M]-	322.20504858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe