CID 3073824

4(1h)-pyrimidinone, 5-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C9H14N4O
SMILES
CN1CCN(CC1)C2=CN=CNC2=O
InChI
InChI=1S/C9H14N4O/c1-12-2-4-13(5-3-12)8-6-10-7-11-9(8)14/h6-7H,2-5H2,1H3,(H,10,11,14)
InChIKey
JEURZSJNEJLJSR-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.11676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.124036 145.3
[M+Na]+ 217.105978 152.8
[M-H]- 193.109484 144.7
[M+NH4]+ 212.150583 158.3
[M+K]+ 233.079918 148.7
[M+H-H2O]+ 177.114020 135.6
[M+HCOO]- 239.114961 160.3
[M+CH3COO]- 253.130611 155.7
[M+Na-2H]- 215.091426 150.8
[M]+ 194.11621142 139.9
[M]- 194.11730858 139.9
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

patents stripe