CID 205359

Propiophenone, 3-(4-phenethylpiperazinyl)-3',4',5'-trimethoxy-, dihydrochloride

Structural Information

Molecular Formula
C24H32N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CCC3=CC=CC=C3
InChI
InChI=1S/C24H32N2O4/c1-28-22-17-20(18-23(29-2)24(22)30-3)21(27)10-12-26-15-13-25(14-16-26)11-9-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3
InChIKey
IWZADTJNHAGINX-UHFFFAOYSA-N
Compound name
3-[4-(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

412.2362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 203.1
[M+Na]+ 435.22542 206.4
[M-H]- 411.22892 208.5
[M+NH4]+ 430.27002 210.1
[M+K]+ 451.19936 202.3
[M+H-H2O]+ 395.23346 190.9
[M+HCOO]- 457.23440 218.1
[M+CH3COO]- 471.25005 226.9
[M+Na-2H]- 433.21087 201.4
[M]+ 412.23565 205.3
[M]- 412.23675 205.3
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.