CID 23910

4-(dimethylamino)-2'-phenethylbutyrophenone hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CN(C)CCCC(=O)C1=CC=CC=C1CCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO/c1-21(2)16-8-13-20(22)19-12-7-6-11-18(19)15-14-17-9-4-3-5-10-17/h3-7,9-12H,8,13-16H2,1-2H3

InChIKey

VTAMOOMETSQUBE-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-1-[2-(2-phenylethyl)phenyl]butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.1936 Da
Monoisotopic Mass: 4.2
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]+	296.200876	174.1
[M+Na]+	318.182818	178.2
[M-H]-	294.186324	181.0
[M+NH4]+	313.227423	189.3
[M+K]+	334.156758	174.6
[M+H-H2O]+	278.190860	165.1
[M+HCOO]-	340.191801	197.3
[M+CH3COO]-	354.207451	211.5
[M+Na-2H]-	316.168266	176.4
[M]+	295.19305142	176.2
[M]-	295.19414858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe