CID 65831

Perfomedil

Structural Information

Molecular Formula

C₁₉H₂₉NO₄

SMILES

CC1CCCN(C1)CCCC(=O)C2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H29NO4/c1-14-7-5-9-20(13-14)10-6-8-16(21)19-17(23-3)11-15(22-2)12-18(19)24-4/h11-12,14H,5-10,13H2,1-4H3

InChIKey

KMXVFCRYIUCLRS-UHFFFAOYSA-N

Compound name

4-(3-methylpiperidin-1-yl)-1-(2,4,6-trimethoxyphenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 33
Patents: 335.20966 Da
Monoisotopic Mass: 3.1
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]+	336.216936	181.7
[M+Na]+	358.198878	186.3
[M-H]-	334.202384	186.0
[M+NH4]+	353.243483	194.1
[M+K]+	374.172818	184.1
[M+H-H2O]+	318.206920	172.7
[M+HCOO]-	380.207861	198.7
[M+CH3COO]-	394.223511	213.6
[M+Na-2H]-	356.184326	180.3
[M]+	335.20911142	184.7
[M]-	335.21020858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe