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
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References

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Patents

352.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.4
[M+Na]+ 375.20432 201.2
[M+NH4]+ 370.24892 195.3
[M+K]+ 391.17826 193.0
[M-H]- 351.20782 193.2
[M+Na-2H]- 373.18977 196.6
[M]+ 352.21455 191.5
[M]- 352.21565 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.