CID 25986

Acetamide, n-(alpha-(1-methyl-1-piperidinoethyl)benzylidene)-2-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

CC(C)(C(=NC(=O)CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C23H28N2O/c1-23(2,25-16-10-5-11-17-25)22(20-14-8-4-9-15-20)24-21(26)18-19-12-6-3-7-13-19/h3-4,6-9,12-15H,5,10-11,16-18H2,1-2H3

InChIKey

UPHRNCZRYCAXKT-UHFFFAOYSA-N

Compound name

N-(2-methyl-1-phenyl-2-piperidin-1-ylpropylidene)-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.22015 Da
Monoisotopic Mass: 4.8
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]+	349.227426	186.8
[M+Na]+	371.209368	187.5
[M-H]-	347.212874	194.1
[M+NH4]+	366.253973	197.3
[M+K]+	387.183308	183.0
[M+H-H2O]+	331.217410	175.9
[M+HCOO]-	393.218351	203.2
[M+CH3COO]-	407.234001	217.0
[M+Na-2H]-	369.194816	188.9
[M]+	348.21960142	181.6
[M]-	348.22069858	181.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.