CID 3046270

1-piperazinepropionic acid, 4-(2-(bis(p-fluorophenyl)methoxy)ethyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C24H30F2N2O3
SMILES
CCOC(=O)CCN1CCN(CC1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H30F2N2O3/c1-2-30-23(29)11-12-27-13-15-28(16-14-27)17-18-31-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h3-10,24H,2,11-18H2,1H3
InChIKey
FODTVNSRDGZPEK-UHFFFAOYSA-N
Compound name
ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

432.22244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.22972 206.8
[M+Na]+ 455.21166 209.2
[M-H]- 431.21516 209.0
[M+NH4]+ 450.25626 212.5
[M+K]+ 471.18560 203.8
[M+H-H2O]+ 415.21970 192.7
[M+HCOO]- 477.22064 218.4
[M+CH3COO]- 491.23629 228.9
[M+Na-2H]- 453.19711 203.2
[M]+ 432.22189 204.3
[M]- 432.22299 204.3
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

patents stripe