CID 21595404

Thenylfentanyl

Structural Information

Molecular Formula

C₁₉H₂₄N₂OS

SMILES

CCC(=O)N(C1CCN(CC1)CC2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2OS/c1-2-19(22)21(16-7-4-3-5-8-16)17-10-12-20(13-11-17)15-18-9-6-14-23-18/h3-9,14,17H,2,10-13,15H2,1H3

InChIKey

JSOSWRYHPGIWGT-UHFFFAOYSA-N

Compound name

N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 328.16095 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]+	329.168226	179.2
[M+Na]+	351.150168	182.6
[M-H]-	327.153674	187.8
[M+NH4]+	346.194773	193.8
[M+K]+	367.124108	178.6
[M+H-H2O]+	311.158210	170.0
[M+HCOO]-	373.159151	194.5
[M+CH3COO]-	387.174801	210.7
[M+Na-2H]-	349.135616	176.8
[M]+	328.16040142	177.9
[M]-	328.16149858	177.9

Literature stripe

literature stripe

Patent stripe

patents stripe