PubChemLite - Mefentanyl (C23H30N2O)

Structural Information

Molecular Formula

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

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	188.8
[M+Na]+	373.22502	190.6
[M-H]-	349.22852	196.5
[M+NH4]+	368.26962	199.7
[M+K]+	389.19896	186.1
[M+H-H2O]+	333.23306	177.5
[M+HCOO]-	395.23400	206.5
[M+CH3COO]-	409.24965	220.3
[M+Na-2H]-	371.21047	188.5
[M]+	350.23525	185.6
[M]-	350.23635	185.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.24308

188.8

[M+Na]+

373.22502

190.6

[M-H]-

349.22852

196.5

[M+NH4]+

368.26962

199.7

[M+K]+

389.19896

186.1

[M+H-H2O]+

333.23306

177.5

[M+HCOO]-

395.23400

206.5

[M+CH3COO]-

409.24965

220.3

[M+Na-2H]-

371.21047

188.5

[M]+

350.23525

185.6

[M]-

350.23635

185.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Mefentanyl

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe