CID 205816

Propiophenone, 2',4'-dimethoxy-3-piperidino-

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

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

InChI

InChI=1S/C16H23NO3/c1-19-13-6-7-14(16(12-13)20-2)15(18)8-11-17-9-4-3-5-10-17/h6-7,12H,3-5,8-11H2,1-2H3

InChIKey

QLFSCACCFBCWJQ-UHFFFAOYSA-N

Compound name

1-(2,4-dimethoxyphenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 277.1678 Da
Monoisotopic Mass: 2.4
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]+	278.175076	166.0
[M+Na]+	300.157018	170.3
[M-H]-	276.160524	170.1
[M+NH4]+	295.201623	180.3
[M+K]+	316.130958	168.0
[M+H-H2O]+	260.165060	157.3
[M+HCOO]-	322.166001	183.9
[M+CH3COO]-	336.181651	200.1
[M+Na-2H]-	298.142466	167.4
[M]+	277.16725142	165.7
[M]-	277.16834858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe