CID 100237

4(3h)-pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
COC1=CC=CC=C1N2C(=O)C=CN=C2SC
InChI
InChI=1S/C12H12N2O2S/c1-16-10-6-4-3-5-9(10)14-11(15)7-8-13-12(14)17-2/h3-8H,1-2H3
InChIKey
IGFZWXVHQZAPRW-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 153.4
[M+Na]+ 271.05117 169.0
[M+NH4]+ 266.09577 161.6
[M+K]+ 287.02511 159.6
[M-H]- 247.05467 157.0
[M+Na-2H]- 269.03662 162.1
[M]+ 248.06140 157.2
[M]- 248.06250 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.