CID 3046264

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

Structural Information

Molecular Formula
C24H31FN2O3
SMILES
C1CN(CCN1CCCCC(=O)O)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O3/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)30-19-18-27-16-14-26(15-17-27)13-5-4-8-23(28)29/h1-3,6-7,9-12,24H,4-5,8,13-19H2,(H,28,29)
InChIKey
JDWWQMGKWQDQLA-UHFFFAOYSA-N
Compound name
5-[4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.23187 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23915 202.6
[M+Na]+ 437.22109 203.5
[M-H]- 413.22459 204.4
[M+NH4]+ 432.26569 208.0
[M+K]+ 453.19503 197.8
[M+H-H2O]+ 397.22913 189.7
[M+HCOO]- 459.23007 213.8
[M+CH3COO]- 473.24572 223.4
[M+Na-2H]- 435.20654 200.1
[M]+ 414.23132 199.1
[M]- 414.23242 199.1
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.