CID 22309535

4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one

Structural Information

Molecular Formula
C9H11ClN4O
SMILES
CN1CCN(CC1=O)C2=CC(=NC=N2)Cl
InChI
InChI=1S/C9H11ClN4O/c1-13-2-3-14(5-9(13)15)8-4-7(10)11-6-12-8/h4,6H,2-3,5H2,1H3
InChIKey
BJDMFQAQPNEDDT-UHFFFAOYSA-N
Compound name
4-(6-chloropyrimidin-4-yl)-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.06213 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.06941 148.2
[M+Na]+ 249.05135 162.9
[M+NH4]+ 244.09595 155.5
[M+K]+ 265.02529 156.1
[M-H]- 225.05485 149.8
[M+Na-2H]- 247.03680 155.4
[M]+ 226.06158 150.9
[M]- 226.06268 150.9
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.