CID 211962

Piperazine, 1-m-tolyl-4-((3,4,5-trimethoxybenzoyl)acetyl)-

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O5/c1-16-6-5-7-18(12-16)24-8-10-25(11-9-24)22(27)15-19(26)17-13-20(28-2)23(30-4)21(14-17)29-3/h5-7,12-14H,8-11,15H2,1-4H3
InChIKey
RFDHWGHZSOMLDS-UHFFFAOYSA-N
Compound name
1-[4-(3-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]+ 413.207106 199.7
[M+Na]+ 435.189048 204.3
[M-H]- 411.192554 206.0
[M+NH4]+ 430.233653 206.8
[M+K]+ 451.162988 201.3
[M+H-H2O]+ 395.197090 188.2
[M+HCOO]- 457.198031 214.5
[M+CH3COO]- 471.213681 227.1
[M+Na-2H]- 433.174496 197.0
[M]+ 412.19928142 202.2
[M]- 412.20037858 202.2
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.