CID 3046262

4-(2-((p-fluorophenyl)phenylmethoxy)ethyl)-1-piperazinebutyric acid dimaleate

Structural Information

Molecular Formula
C23H29FN2O3
SMILES
C1CN(CCN1CCCC(=O)O)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H29FN2O3/c24-21-10-8-20(9-11-21)23(19-5-2-1-3-6-19)29-18-17-26-15-13-25(14-16-26)12-4-7-22(27)28/h1-3,5-6,8-11,23H,4,7,12-18H2,(H,27,28)
InChIKey
YNXDQBCQLPYCLN-UHFFFAOYSA-N
Compound name
4-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.21622 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.22350 198.3
[M+Na]+ 423.20544 199.7
[M-H]- 399.20894 200.3
[M+NH4]+ 418.25004 204.3
[M+K]+ 439.17938 194.2
[M+H-H2O]+ 383.21348 185.5
[M+HCOO]- 445.21442 209.8
[M+CH3COO]- 459.23007 220.5
[M+Na-2H]- 421.19089 196.3
[M]+ 400.21567 194.4
[M]- 400.21677 194.4
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.