CID 204680

1-(p-methoxyphenyl)-4-(3,4,5-trimethoxybenzoylethyl)piperazine hydrobromide

Structural Information

Molecular Formula
C23H30N2O5
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O5/c1-27-19-7-5-18(6-8-19)25-13-11-24(12-14-25)10-9-20(26)17-15-21(28-2)23(30-4)22(16-17)29-3/h5-8,15-16H,9-14H2,1-4H3
InChIKey
IYDLCIJRXLHFEM-UHFFFAOYSA-N
Compound name
3-[4-(4-methoxyphenyl)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

414.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 201.8
[M+Na]+ 437.20470 214.7
[M+NH4]+ 432.24930 206.9
[M+K]+ 453.17864 208.0
[M-H]- 413.20820 205.6
[M+Na-2H]- 435.19015 207.9
[M]+ 414.21493 204.6
[M]- 414.21603 204.6
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.