CID 211961

23776-31-0

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O5/c1-16-7-5-6-8-18(16)24-9-11-25(12-10-24)22(27)15-19(26)17-13-20(28-2)23(30-4)21(14-17)29-3/h5-8,13-14H,9-12,15H2,1-4H3
InChIKey
DADUDMDLSGNKFL-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)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

412.19983 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 199.7
[M+Na]+ 435.18905 212.3
[M+NH4]+ 430.23365 204.5
[M+K]+ 451.16299 206.4
[M-H]- 411.19255 203.1
[M+Na-2H]- 433.17450 205.5
[M]+ 412.19928 202.3
[M]- 412.20038 202.3
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.