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

1
Patents

304.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.197176 175.0
[M+Na]+ 327.179118 178.3
[M-H]- 303.182624 174.7
[M+NH4]+ 322.223723 183.5
[M+K]+ 343.153058 175.0
[M+H-H2O]+ 287.187160 163.9
[M+HCOO]- 349.188101 186.7
[M+CH3COO]- 363.203751 205.5
[M+Na-2H]- 325.164566 175.1
[M]+ 304.18935142 172.4
[M]- 304.19044858 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