CID 621150

2-methylfentanyl

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C23H30N2O/c1-3-23(26)25(22-12-8-7-9-19(22)2)21-14-17-24(18-15-21)16-13-20-10-5-4-6-11-20/h4-12,21H,3,13-18H2,1-2H3

InChIKey

DPAJFOSXYXNYMA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 4
Patents: 350.2358 Da
Monoisotopic Mass: 4.4
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]+	351.243076	188.8
[M+Na]+	373.225018	190.6
[M-H]-	349.228524	196.5
[M+NH4]+	368.269623	199.7
[M+K]+	389.198958	186.1
[M+H-H2O]+	333.233060	177.5
[M+HCOO]-	395.234001	206.5
[M+CH3COO]-	409.249651	220.3
[M+Na-2H]-	371.210466	188.5
[M]+	350.23525142	185.6
[M]-	350.23634858	185.6

Literature stripe

literature stripe

Patent stripe

patents stripe