CID 210500

Propiophenone, 3-(4-(beta-methoxyphenethyl)-1-piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C25H34N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CC(C3=CC=CC=C3)OC
InChI
InChI=1S/C25H34N2O5/c1-29-22-16-20(17-23(30-2)25(22)32-4)21(28)10-11-26-12-14-27(15-13-26)18-24(31-3)19-8-6-5-7-9-19/h5-9,16-17,24H,10-15,18H2,1-4H3
InChIKey
FUNAXPQIFSAGQP-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.24677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.25405 209.4
[M+Na]+ 465.23599 221.1
[M+NH4]+ 460.28059 214.0
[M+K]+ 481.20993 214.6
[M-H]- 441.23949 212.8
[M+Na-2H]- 463.22144 214.9
[M]+ 442.24622 211.9
[M]- 442.24732 211.9
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.