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 175.0
[M+Na]+ 327.17912 178.3
[M-H]- 303.18262 174.7
[M+NH4]+ 322.22372 183.5
[M+K]+ 343.15306 175.0
[M+H-H2O]+ 287.18716 163.9
[M+HCOO]- 349.18810 186.7
[M+CH3COO]- 363.20375 205.5
[M+Na-2H]- 325.16457 175.1
[M]+ 304.18935 172.4
[M]- 304.19045 172.4
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

patents stripe