CID 14402357

Isobutyrfentanyl

Structural Information

Molecular Formula

C₂₃H₃₀N₂O

SMILES

CC(C)C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O/c1-19(2)23(26)25(21-11-7-4-8-12-21)22-14-17-24(18-15-22)16-13-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3

InChIKey

WRPFPNIHTOSMKU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 26
Patents: 350.2358 Da
Monoisotopic Mass: 4.6
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