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]+ 399.22783 197.7
[M+Na]+ 421.20977 198.8
[M-H]- 397.21327 201.2
[M+NH4]+ 416.25437 203.8
[M+K]+ 437.18371 194.6
[M+H-H2O]+ 381.21781 185.8
[M+HCOO]- 443.21875 210.5
[M+CH3COO]- 457.23440 220.1
[M+Na-2H]- 419.19522 196.5
[M]+ 398.22000 196.3
[M]- 398.22110 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.