CID 15387

Melperone

Structural Information

Molecular Formula

C₁₆H₂₂FNO

SMILES

CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3

InChIKey

DKMFBWQBDIGMHM-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 146
References: 5421
Patents: 263.16855 Da
Monoisotopic Mass: 3.3
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]+	264.17583	163.0
[M+Na]+	286.15777	167.5
[M-H]-	262.16127	165.7
[M+NH4]+	281.20237	177.9
[M+K]+	302.13171	163.6
[M+H-H2O]+	246.16581	153.6
[M+HCOO]-	308.16675	179.4
[M+CH3COO]-	322.18240	198.7
[M+Na-2H]-	284.14322	163.7
[M]+	263.16800	158.7
[M]-	263.16910	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe