CID 210448

Propiophenone, 4'-methoxy-3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CC(CN1CCN(CC1)CC(C2=CC=CC=C2)OC)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C24H32N2O3/c1-19(24(27)21-9-11-22(28-2)12-10-21)17-25-13-15-26(16-14-25)18-23(29-3)20-7-5-4-6-8-20/h4-12,19,23H,13-18H2,1-3H3
InChIKey
WHHOXCOKGMZNMR-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 199.1
[M+Na]+ 419.23052 200.2
[M-H]- 395.23402 203.9
[M+NH4]+ 414.27512 206.0
[M+K]+ 435.20446 196.4
[M+H-H2O]+ 379.23856 187.1
[M+HCOO]- 441.23950 211.9
[M+CH3COO]- 455.25515 224.1
[M+Na-2H]- 417.21597 196.6
[M]+ 396.24075 197.9
[M]- 396.24185 197.9
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.