CID 3079037

124069-08-5

Structural Information

Molecular Formula

C₂₅H₂₅NO₃

SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO3/c1-28-20-12-8-17(9-13-20)22-16-23(27)24(18-6-4-3-5-7-18)25(26-22)19-10-14-21(29-2)15-11-19/h3-15,22,24-26H,16H2,1-2H3

InChIKey

QLTTYNSFKSHQIW-UHFFFAOYSA-N

Compound name

2,6-bis(4-methoxyphenyl)-3-phenylpiperidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 387.18344 Da
Monoisotopic Mass: 3.9
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]+	388.190716	196.1
[M+Na]+	410.172658	201.2
[M-H]-	386.176164	205.3
[M+NH4]+	405.217263	204.5
[M+K]+	426.146598	194.7
[M+H-H2O]+	370.180700	184.2
[M+HCOO]-	432.181641	212.5
[M+CH3COO]-	446.197291	204.3
[M+Na-2H]-	408.158106	195.8
[M]+	387.18289142	193.0
[M]-	387.18398858	193.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.