CID 723503

4,6-dimethyl-2-(phenylthio)pyrimidine

Structural Information

Molecular Formula
C12H12N2S
SMILES
CC1=CC(=NC(=N1)SC2=CC=CC=C2)C
InChI
InChI=1S/C12H12N2S/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKey
IARGOCVSIPNAQQ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-phenylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

216.07211 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07939 146.1
[M+Na]+ 239.06133 162.4
[M+NH4]+ 234.10593 155.9
[M+K]+ 255.03527 151.9
[M-H]- 215.06483 151.0
[M+Na-2H]- 237.04678 156.2
[M]+ 216.07156 150.6
[M]- 216.07266 150.6
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

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