CID 10090

Normethadone

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CCC(=O)C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H25NO/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3

InChIKey

WCJFBSYALHQBSK-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-4,4-diphenylhexan-3-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 17
References: 8441
Patents: 295.1936 Da
Monoisotopic Mass: 3.5
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]+	296.20088	173.5
[M+Na]+	318.18282	177.1
[M-H]-	294.18632	180.4
[M+NH4]+	313.22742	188.5
[M+K]+	334.15676	174.1
[M+H-H2O]+	278.19086	165.0
[M+HCOO]-	340.19180	195.2
[M+CH3COO]-	354.20745	210.7
[M+Na-2H]-	316.16827	177.4
[M]+	295.19305	174.8
[M]-	295.19415	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe