CID 3039646

50910-22-0

Structural Information

Molecular Formula

C₂₂H₂₉NO₃

SMILES

COC1=CC=CC(=C1)C2=CC(=C(C=C2)C(CCN3CCCCC3)O)OC

InChI

InChI=1S/C22H29NO3/c1-25-19-8-6-7-17(15-19)18-9-10-20(22(16-18)26-2)21(24)11-14-23-12-4-3-5-13-23/h6-10,15-16,21,24H,3-5,11-14H2,1-2H3

InChIKey

VNBWEHKOQIIWPB-UHFFFAOYSA-N

Compound name

1-[2-methoxy-4-(3-methoxyphenyl)phenyl]-3-piperidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 355.21475 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]+	356.222026	188.2
[M+Na]+	378.203968	191.1
[M-H]-	354.207474	193.7
[M+NH4]+	373.248573	198.2
[M+K]+	394.177908	186.7
[M+H-H2O]+	338.212010	177.7
[M+HCOO]-	400.212951	203.4
[M+CH3COO]-	414.228601	213.4
[M+Na-2H]-	376.189416	187.6
[M]+	355.21420142	186.3
[M]-	355.21529858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.