CID 203022

3-(4-(beta-methoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloride

Structural Information

Molecular Formula
C22H28N2O2
SMILES
COC(CN1CCN(CC1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-26-22(20-10-6-3-7-11-20)18-24-16-14-23(15-17-24)13-12-21(25)19-8-4-2-5-9-19/h2-11,22H,12-18H2,1H3
InChIKey
YQNRNHCZZARICU-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 187.8
[M+Na]+ 375.204318 189.3
[M-H]- 351.207824 192.4
[M+NH4]+ 370.248923 196.4
[M+K]+ 391.178258 184.6
[M+H-H2O]+ 335.212360 175.9
[M+HCOO]- 397.213301 202.1
[M+CH3COO]- 411.228951 214.1
[M+Na-2H]- 373.189766 188.0
[M]+ 352.21455142 184.6
[M]- 352.21564858 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.