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 167.9
[M+Na]+ 300.16824 171.5
[M-H]- 276.17174 169.0
[M+NH4]+ 295.21284 179.1
[M+K]+ 316.14218 168.9
[M+H-H2O]+ 260.17628 157.5
[M+HCOO]- 322.17722 182.1
[M+CH3COO]- 336.19287 199.6
[M+Na-2H]- 298.15369 169.4
[M]+ 277.17847 165.7
[M]- 277.17957 165.7
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

No patent data available for this compound.