CID 211957

23776-27-4

Structural Information

Molecular Formula
C22H26N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O5/c1-27-19-13-16(14-20(28-2)22(19)29-3)18(25)15-21(26)24-11-9-23(10-12-24)17-7-5-4-6-8-17/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey
DBZHMIDIQSVMPE-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-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

398.18417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.19145 195.4
[M+Na]+ 421.17339 207.7
[M+NH4]+ 416.21799 200.3
[M+K]+ 437.14733 201.9
[M-H]- 397.17689 198.6
[M+Na-2H]- 419.15884 201.6
[M]+ 398.18362 197.8
[M]- 398.18472 197.8
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.