CID 205820

18703-94-1

Structural Information

Molecular Formula

C₁₇H₂₅NO₄

SMILES

COC1=CC(=C(C(=C1)OC)C(=O)CCN2CCCCC2)OC

InChI

InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-10-18-8-5-4-6-9-18/h11-12H,4-10H2,1-3H3

InChIKey

YYQLYLIMEUROLG-UHFFFAOYSA-N

Compound name

3-piperidin-1-yl-1-(2,4,6-trimethoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 307.17834 Da
Monoisotopic Mass: 2.3
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]+	308.185616	173.0
[M+Na]+	330.167558	177.6
[M-H]-	306.171064	177.3
[M+NH4]+	325.212163	186.3
[M+K]+	346.141498	175.8
[M+H-H2O]+	290.175600	164.1
[M+HCOO]-	352.176541	190.7
[M+CH3COO]-	366.192191	206.4
[M+Na-2H]-	328.153006	173.3
[M]+	307.17779142	174.9
[M]-	307.17888858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe