CID 3046260

4-(2-(bis(p-fluorophenyl)methoxy)ethyl)-1-piperazinepropionic acid dimaleate

Structural Information

Molecular Formula
C22H26F2N2O3
SMILES
C1CN(CCN1CCC(=O)O)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H26F2N2O3/c23-19-5-1-17(2-6-19)22(18-3-7-20(24)8-4-18)29-16-15-26-13-11-25(12-14-26)10-9-21(27)28/h1-8,22H,9-16H2,(H,27,28)
InChIKey
JCHVAKQKAGSFIQ-UHFFFAOYSA-N
Compound name
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

404.19116 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19844 197.4
[M+Na]+ 427.18038 200.3
[M-H]- 403.18388 198.7
[M+NH4]+ 422.22498 203.6
[M+K]+ 443.15432 194.6
[M+H-H2O]+ 387.18842 184.1
[M+HCOO]- 449.18936 208.3
[M+CH3COO]- 463.20501 221.5
[M+Na-2H]- 425.16583 194.6
[M]+ 404.19061 192.7
[M]- 404.19171 192.7
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