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]+ 249.069226 152.0
[M+Na]+ 271.051168 162.8
[M-H]- 247.054674 157.1
[M+NH4]+ 266.095773 167.6
[M+K]+ 287.025108 158.4
[M+H-H2O]+ 231.059210 143.8
[M+HCOO]- 293.060151 170.0
[M+CH3COO]- 307.075801 191.8
[M+Na-2H]- 269.036616 155.9
[M]+ 248.06140142 156.8
[M]- 248.06249858 156.8
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.