CID 210444

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

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O3/c1-4-30-24(21-8-6-5-7-9-21)19-27-16-14-26(15-17-27)18-20(2)25(28)22-10-12-23(29-3)13-11-22/h5-13,20,24H,4,14-19H2,1-3H3
InChIKey
MPDFIZGLPHOGSD-UHFFFAOYSA-N
Compound name
3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.25696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 203.5
[M+Na]+ 433.24618 204.1
[M-H]- 409.24968 208.1
[M+NH4]+ 428.29078 209.8
[M+K]+ 449.22012 200.1
[M+H-H2O]+ 393.25422 191.3
[M+HCOO]- 455.25516 216.0
[M+CH3COO]- 469.27081 227.0
[M+Na-2H]- 431.23163 200.4
[M]+ 410.25641 202.6
[M]- 410.25751 202.6
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.