CID 211960

23776-30-9

Structural Information

Molecular Formula
C23H28N2O6
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O6/c1-28-18-7-5-17(6-8-18)24-9-11-25(12-10-24)22(27)15-19(26)16-13-20(29-2)23(31-4)21(14-16)30-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
BDOONUMHGLMPME-UHFFFAOYSA-N
Compound name
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.19473 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20201 202.3
[M+Na]+ 451.18395 214.3
[M+NH4]+ 446.22855 206.4
[M+K]+ 467.15789 209.0
[M-H]- 427.18745 205.1
[M+Na-2H]- 449.16940 207.6
[M]+ 428.19418 204.6
[M]- 428.19528 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.