CID 6425761

Beta-methylfentanyl

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CCC(=O)N(C1CCN(CC1)CC(C)C2=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)18-19(2)20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3

InChIKey

UXIGUKSHASXDNI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 74
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	188.4
[M+Na]+	373.225018	189.0
[M-H]-	349.228524	195.8
[M+NH4]+	368.269623	199.0
[M+K]+	389.198958	185.0
[M+H-H2O]+	333.233060	177.2
[M+HCOO]-	395.234001	205.2
[M+CH3COO]-	409.249651	220.0
[M+Na-2H]-	371.210466	187.8
[M]+	350.23525142	184.3
[M]-	350.23634858	184.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe