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]+ 195.12404 145.3
[M+Na]+ 217.10598 152.8
[M-H]- 193.10948 144.7
[M+NH4]+ 212.15058 158.3
[M+K]+ 233.07992 148.7
[M+H-H2O]+ 177.11402 135.6
[M+HCOO]- 239.11496 160.3
[M+CH3COO]- 253.13061 155.7
[M+Na-2H]- 215.09143 150.8
[M]+ 194.11621 139.9
[M]- 194.11731 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