CID 527011

4-chlorofentanyl

Structural Information

Molecular Formula

C₂₂H₂₇ClN₂O

SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O/c1-2-22(26)25(20-10-8-19(23)9-11-20)21-13-16-24(17-14-21)15-12-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3

InChIKey

CUGMWAHBYRKBKL-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 370.18118 Da
Monoisotopic Mass: 4.7
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]+	371.188456	191.2
[M+Na]+	393.170398	194.3
[M-H]-	369.173904	198.8
[M+NH4]+	388.215003	202.3
[M+K]+	409.144338	188.4
[M+H-H2O]+	353.178440	180.6
[M+HCOO]-	415.179381	204.8
[M+CH3COO]-	429.195031	220.9
[M+Na-2H]-	391.155846	191.0
[M]+	370.18063142	190.2
[M]-	370.18172858	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.