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 149.2
[M+Na]+ 249.05135 158.6
[M-H]- 225.05485 150.0
[M+NH4]+ 244.09595 162.6
[M+K]+ 265.02529 153.9
[M+H-H2O]+ 209.05939 139.6
[M+HCOO]- 271.06033 161.0
[M+CH3COO]- 285.07598 160.2
[M+Na-2H]- 247.03680 153.9
[M]+ 226.06158 147.8
[M]- 226.06268 147.8
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.