CID 3456504

3-(4-methylpiperazinyl)-3-phenylpropiophenone

Structural Information

Molecular Formula
C20H24N2O
SMILES
CN1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)19(17-8-4-2-5-9-17)16-20(23)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3
InChIKey
OKRSORWSSRJJNW-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 175.9
[M+Na]+ 331.178088 178.5
[M-H]- 307.181594 181.0
[M+NH4]+ 326.222693 186.4
[M+K]+ 347.152028 173.5
[M+H-H2O]+ 291.186130 164.7
[M+HCOO]- 353.187071 190.7
[M+CH3COO]- 367.202721 184.1
[M+Na-2H]- 329.163536 177.1
[M]+ 308.18832142 170.7
[M]- 308.18941858 170.7
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.