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

0
Patents

295.1936 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 174.3
[M+Na]+ 318.18282 187.6
[M+NH4]+ 313.22742 182.7
[M+K]+ 334.15676 178.6
[M-H]- 294.18632 179.9
[M+Na-2H]- 316.16827 183.2
[M]+ 295.19305 177.8
[M]- 295.19415 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.