CID 3035062

3-(4-phenyl-3-piperidienyl)-1-(4-propionylphenoxy)propan-2-ol

Structural Information

Molecular Formula

C₂₃H₂₅NO₃

SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CC2CN=CC=C2C3=CC=CC=C3)O

InChI

InChI=1S/C23H25NO3/c1-2-23(26)18-8-10-21(11-9-18)27-16-20(25)14-19-15-24-13-12-22(19)17-6-4-3-5-7-17/h3-13,19-20,25H,2,14-16H2,1H3

InChIKey

JXFXKSDXMALIDC-UHFFFAOYSA-N

Compound name

1-[4-[2-hydroxy-3-(4-phenyl-2,3-dihydropyridin-3-yl)propoxy]phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 363.18344 Da
Monoisotopic Mass: 2.7
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]+	364.190716	189.2
[M+Na]+	386.172658	192.7
[M-H]-	362.176164	195.0
[M+NH4]+	381.217263	198.5
[M+K]+	402.146598	187.6
[M+H-H2O]+	346.180700	178.5
[M+HCOO]-	408.181641	206.2
[M+CH3COO]-	422.197291	214.6
[M+Na-2H]-	384.158106	189.7
[M]+	363.18289142	188.8
[M]-	363.18398858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.