CID 3046258

4-(2-(phenyl-3,4,5-trimethoxyphenylmethoxy)ethyl)-1-piperazinepropionic acid dimaleate

Structural Information

Molecular Formula
C25H34N2O6
SMILES
COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)OCCN3CCN(CC3)CCC(=O)O
InChI
InChI=1S/C25H34N2O6/c1-30-21-17-20(18-22(31-2)25(21)32-3)24(19-7-5-4-6-8-19)33-16-15-27-13-11-26(12-14-27)10-9-23(28)29/h4-8,17-18,24H,9-16H2,1-3H3,(H,28,29)
InChIKey
PHDFGTLYJRUIQT-UHFFFAOYSA-N
Compound name
3-[4-[2-[phenyl-(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.2417 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.24898 212.6
[M+Na]+ 481.23092 223.2
[M+NH4]+ 476.27552 216.2
[M+K]+ 497.20486 217.6
[M-H]- 457.23442 215.0
[M+Na-2H]- 479.21637 217.0
[M]+ 458.24115 214.4
[M]- 458.24225 214.4
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.