CID 3074861

Ethyl 3-(4-(2-pyrimidyl)-1-piperazinyl)butanoate

Structural Information

Molecular Formula
C14H22N4O2
SMILES
CCOC(=O)CC(C)N1CCN(CC1)C2=NC=CC=N2
InChI
InChI=1S/C14H22N4O2/c1-3-20-13(19)11-12(2)17-7-9-18(10-8-17)14-15-5-4-6-16-14/h4-6,12H,3,7-11H2,1-2H3
InChIKey
BFTZCGRLTNYKMF-UHFFFAOYSA-N
Compound name
ethyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.181576 168.0
[M+Na]+ 301.163518 172.1
[M-H]- 277.167024 167.8
[M+NH4]+ 296.208123 177.7
[M+K]+ 317.137458 169.4
[M+H-H2O]+ 261.171560 156.9
[M+HCOO]- 323.172501 181.1
[M+CH3COO]- 337.188151 199.5
[M+Na-2H]- 299.148966 170.1
[M]+ 278.17375142 165.9
[M]- 278.17484858 165.9
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.