CID 135418832

6-phenylpyrimidin-4-ol

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)C2=CC(=O)NC=N2
InChI
InChI=1S/C10H8N2O/c13-10-6-9(11-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKey
OATNBMJACLEOTB-UHFFFAOYSA-N
Compound name
4-phenyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

172.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 133.7
[M+Na]+ 195.052878 142.9
[M-H]- 171.056384 136.7
[M+NH4]+ 190.097483 150.4
[M+K]+ 211.026818 138.5
[M+H-H2O]+ 155.060920 125.7
[M+HCOO]- 217.061861 155.7
[M+CH3COO]- 231.077511 146.8
[M+Na-2H]- 193.038326 142.9
[M]+ 172.06311142 131.6
[M]- 172.06420858 131.6
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