CID 211149

4(1h)-pyrimidinone, 5-(4-pyridinyl)-

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CN=CC=C1C2=CN=CNC2=O
InChI
InChI=1S/C9H7N3O/c13-9-8(5-11-6-12-9)7-1-3-10-4-2-7/h1-6H,(H,11,12,13)
InChIKey
MZDSAQFMGVWPIS-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05891 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 134.3
[M+Na]+ 196.04813 144.0
[M-H]- 172.05163 136.0
[M+NH4]+ 191.09273 149.6
[M+K]+ 212.02207 139.5
[M+H-H2O]+ 156.05617 125.6
[M+HCOO]- 218.05711 155.2
[M+CH3COO]- 232.07276 147.0
[M+Na-2H]- 194.03358 144.0
[M]+ 173.05836 132.3
[M]- 173.05946 132.3
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.