CID 13723655

Beta-methyl-4-(2-pyridinyl)-1-piperazinepropionic acid ethyl ester dihydrochloride

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CCOC(=O)CC(C)N1CCN(CC1)C2=CC=CC=N2
InChI
InChI=1S/C15H23N3O2/c1-3-20-15(19)12-13(2)17-8-10-18(11-9-17)14-6-4-5-7-16-14/h4-7,13H,3,8-12H2,1-2H3
InChIKey
GWVCXUCDRCOEDT-UHFFFAOYSA-N
Compound name
ethyl 3-(4-pyridin-2-ylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.17902 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.18630 167.4
[M+Na]+ 300.16824 178.4
[M+NH4]+ 295.21284 173.5
[M+K]+ 316.14218 172.6
[M-H]- 276.17174 168.7
[M+Na-2H]- 298.15369 172.8
[M]+ 277.17847 169.0
[M]- 277.17957 169.0
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.