CID 20604134

4-chloro-5,6-dimethyl-2-(methylthio)pyrimidine

Structural Information

Molecular Formula
C7H9ClN2S
SMILES
CC1=C(N=C(N=C1Cl)SC)C
InChI
InChI=1S/C7H9ClN2S/c1-4-5(2)9-7(11-3)10-6(4)8/h1-3H3
InChIKey
PENWDMZLCMBKQO-UHFFFAOYSA-N
Compound name
4-chloro-5,6-dimethyl-2-methylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

188.0175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02478 133.3
[M+Na]+ 211.00672 145.2
[M-H]- 187.01022 135.3
[M+NH4]+ 206.05132 152.8
[M+K]+ 226.98066 140.9
[M+H-H2O]+ 171.01476 127.8
[M+HCOO]- 233.01570 145.9
[M+CH3COO]- 247.03135 181.8
[M+Na-2H]- 208.99217 136.5
[M]+ 188.01695 138.4
[M]- 188.01805 138.4
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

patents stripe