CID 736367

4-(4-methoxyphenyl)-6-methylpyrimidine-2-thiol

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CC1=CC(=NC(=S)N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C12H12N2OS/c1-8-7-11(14-12(16)13-8)9-3-5-10(15-2)6-4-9/h3-7H,1-2H3,(H,13,14,16)
InChIKey
MVSRDCNZGBIDCH-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

232.06703 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 150.2
[M+Na]+ 255.05625 165.8
[M+NH4]+ 250.10085 158.7
[M+K]+ 271.03019 156.2
[M-H]- 231.05975 153.8
[M+Na-2H]- 253.04170 158.8
[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.

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No patent data available for this compound.