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 174.1
[M+Na]+ 318.18282 178.2
[M-H]- 294.18632 181.0
[M+NH4]+ 313.22742 189.3
[M+K]+ 334.15676 174.6
[M+H-H2O]+ 278.19086 165.1
[M+HCOO]- 340.19180 197.3
[M+CH3COO]- 354.20745 211.5
[M+Na-2H]- 316.16827 176.4
[M]+ 295.19305 176.2
[M]- 295.19415 176.2
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

patents stripe