CID 46739099

Ethyl 2-(4-(t-boc)piperazin-1-yl)-4-hydroxypyrimidine-5-carboxylate

Structural Information

Molecular Formula
C16H24N4O5
SMILES
CCOC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H24N4O5/c1-5-24-13(22)11-10-17-14(18-12(11)21)19-6-8-20(9-7-19)15(23)25-16(2,3)4/h10H,5-9H2,1-4H3,(H,17,18,21)
InChIKey
QKKFACJXVJWDAL-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17468 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18196 184.1
[M+Na]+ 375.16390 189.4
[M-H]- 351.16740 183.7
[M+NH4]+ 370.20850 190.7
[M+K]+ 391.13784 186.8
[M+H-H2O]+ 335.17194 174.3
[M+HCOO]- 397.17288 194.5
[M+CH3COO]- 411.18853 209.1
[M+Na-2H]- 373.14935 184.7
[M]+ 352.17413 183.9
[M]- 352.17523 183.9
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.