CID 100236

80306-55-4

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CC1=CC=CC=C1N2C(=O)C=CN=C2SC
InChI
InChI=1S/C12H12N2OS/c1-9-5-3-4-6-10(9)14-11(15)7-8-13-12(14)16-2/h3-8H,1-2H3
InChIKey
YGZIRFYZUCMQEH-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-2-methylsulfanylpyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06703 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 149.9
[M+Na]+ 255.05625 166.0
[M+NH4]+ 250.10085 158.7
[M+K]+ 271.03019 156.1
[M-H]- 231.05975 154.1
[M+Na-2H]- 253.04170 159.1
[M]+ 232.06648 154.0
[M]- 232.06758 154.0
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.