CID 3046252

1-piperazinepropionic acid, 4-(2-((o-methoxyphenyl)phenylmethoxy)ethyl)-, dimaleate

Structural Information

Molecular Formula
C23H30N2O4
SMILES
COC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)CCC(=O)O
InChI
InChI=1S/C23H30N2O4/c1-28-21-10-6-5-9-20(21)23(19-7-3-2-4-8-19)29-18-17-25-15-13-24(14-16-25)12-11-22(26)27/h2-10,23H,11-18H2,1H3,(H,26,27)
InChIKey
RFBAKEBPKRUCSW-UHFFFAOYSA-N
Compound name
3-[4-[2-[(2-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.227826 197.7
[M+Na]+ 421.209768 198.8
[M-H]- 397.213274 201.2
[M+NH4]+ 416.254373 203.8
[M+K]+ 437.183708 194.6
[M+H-H2O]+ 381.217810 185.8
[M+HCOO]- 443.218751 210.5
[M+CH3COO]- 457.234401 220.1
[M+Na-2H]- 419.195216 196.5
[M]+ 398.22000142 196.3
[M]- 398.22109858 196.3
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.