CID 276136

198134-86-0

Structural Information

Molecular Formula

C₂₄H₂₉NO₄

SMILES

CN1C(CCCC1CC(=O)C2=CC=C(C=C2)OC)CC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H29NO4/c1-25-19(15-23(26)17-7-11-21(28-2)12-8-17)5-4-6-20(25)16-24(27)18-9-13-22(29-3)14-10-18/h7-14,19-20H,4-6,15-16H2,1-3H3

InChIKey

IOQZTVDSEMCPFD-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 395.20966 Da
Monoisotopic Mass: 3.8
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]+	396.216936	197.0
[M+Na]+	418.198878	200.4
[M-H]-	394.202384	204.0
[M+NH4]+	413.243483	205.9
[M+K]+	434.172818	196.6
[M+H-H2O]+	378.206920	186.1
[M+HCOO]-	440.207861	212.6
[M+CH3COO]-	454.223511	224.5
[M+Na-2H]-	416.184326	194.1
[M]+	395.20911142	197.5
[M]-	395.21020858	197.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.