CID 3074862

1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)piperazine

Structural Information

Molecular Formula
C16H24N4O2
SMILES
CCCCC(C(=O)C)C(=O)N1CCN(CC1)C2=NC=CC=N2
InChI
InChI=1S/C16H24N4O2/c1-3-4-6-14(13(2)21)15(22)19-9-11-20(12-10-19)16-17-7-5-8-18-16/h5,7-8,14H,3-4,6,9-12H2,1-2H3
InChIKey
CYNWOMAJDPVBPA-UHFFFAOYSA-N
Compound name
2-butyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.19718 173.8
[M+Na]+ 327.17912 184.0
[M+NH4]+ 322.22372 178.4
[M+K]+ 343.15306 179.1
[M-H]- 303.18262 173.7
[M+Na-2H]- 325.16457 178.1
[M]+ 304.18935 174.7
[M]- 304.19045 174.7
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.