CID 62281

Alpha-methylfentanyl

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

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

InChIKey

NGTVDHYUFBKWID-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 546
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	188.4
[M+Na]+	373.22502	189.0
[M-H]-	349.22852	195.8
[M+NH4]+	368.26962	199.0
[M+K]+	389.19896	185.0
[M+H-H2O]+	333.23306	177.2
[M+HCOO]-	395.23400	205.2
[M+CH3COO]-	409.24965	220.0
[M+Na-2H]-	371.21047	187.8
[M]+	350.23525	184.3
[M]-	350.23635	184.3

Literature stripe

literature stripe

Patent stripe

patents stripe