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

0
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 148.7
[M+Na]+ 255.05625 159.4
[M-H]- 231.05975 152.4
[M+NH4]+ 250.10085 164.4
[M+K]+ 271.03019 153.4
[M+H-H2O]+ 215.06429 141.2
[M+HCOO]- 277.06523 165.0
[M+CH3COO]- 291.08088 161.2
[M+Na-2H]- 253.04170 152.1
[M]+ 232.06648 150.4
[M]- 232.06758 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.