CID 211959

23776-29-6

Structural Information

Molecular Formula
C23H28N2O6
SMILES
COC1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O6/c1-28-19-8-6-5-7-17(19)24-9-11-25(12-10-24)22(27)15-18(26)16-13-20(29-2)23(31-4)21(14-16)30-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
ZHEFRFWJRSRBOI-UHFFFAOYSA-N
Compound name
1-[4-(2-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 202.1
[M+Na]+ 451.18395 206.4
[M-H]- 427.18745 208.3
[M+NH4]+ 446.22855 208.3
[M+K]+ 467.15789 204.2
[M+H-H2O]+ 411.19199 190.3
[M+HCOO]- 473.19293 216.9
[M+CH3COO]- 487.20858 229.3
[M+Na-2H]- 449.16940 199.5
[M]+ 428.19418 205.9
[M]- 428.19528 205.9
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.