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]+ 439.259136 208.4
[M+Na]+ 461.241078 209.3
[M-H]- 437.244584 213.3
[M+NH4]+ 456.285683 213.6
[M+K]+ 477.215018 205.9
[M+H-H2O]+ 421.249120 196.5
[M+HCOO]- 483.250061 219.9
[M+CH3COO]- 497.265711 233.4
[M+Na-2H]- 459.226526 203.3
[M]+ 438.25131142 208.5
[M]- 438.25240858 208.5
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.