CID 3046280

4-(2-((alpha-propylbenzyl)oxy)ethyl)-1-piperazinepropionic acid maleate (1:2)

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCC(C1=CC=CC=C1)OCCN2CCN(CC2)CCC(=O)O
InChI
InChI=1S/C19H30N2O3/c1-2-6-18(17-7-4-3-5-8-17)24-16-15-21-13-11-20(12-14-21)10-9-19(22)23/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,22,23)
InChIKey
HQNGMBDDAMDUPG-UHFFFAOYSA-N
Compound name
3-[4-[2-(1-phenylbutoxy)ethyl]piperazin-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 184.1
[M+Na]+ 357.21487 193.5
[M+NH4]+ 352.25947 189.4
[M+K]+ 373.18881 187.3
[M-H]- 333.21837 185.0
[M+Na-2H]- 355.20032 187.9
[M]+ 334.22510 185.3
[M]- 334.22620 185.3
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.