CID 206289

3,3'-(1,4-piperazinediyl)bis(1-(4-methoxyphenyl)-2-methyl-1-propanone)

Structural Information

Molecular Formula
C26H34N2O4
SMILES
CC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H34N2O4/c1-19(25(29)21-5-9-23(31-3)10-6-21)17-27-13-15-28(16-14-27)18-20(2)26(30)22-7-11-24(32-4)12-8-22/h5-12,19-20H,13-18H2,1-4H3
InChIKey
VYVYGWKEWHZSEF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.25186 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.25914 207.5
[M+Na]+ 461.24108 218.4
[M+NH4]+ 456.28568 212.0
[M+K]+ 477.21502 212.6
[M-H]- 437.24458 210.6
[M+Na-2H]- 459.22653 212.8
[M]+ 438.25131 209.6
[M]- 438.25241 209.6
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.