CID 61996

Mefentanyl

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

MLQRZXNZHAOCHQ-UHFFFAOYSA-N

Compound name

N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 50
References: 1143
Patents: 350.2358 Da
Monoisotopic Mass: 4.5
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]+	351.24308	189.6
[M+Na]+	373.22502	202.5
[M+NH4]+	368.26962	197.7
[M+K]+	389.19896	193.6
[M-H]-	349.22852	196.5
[M+Na-2H]-	371.21047	198.5
[M]+	350.23525	193.4
[M]-	350.23635	193.4

Literature stripe

literature stripe

Patent stripe

patents stripe