CID 45788106

5-(6-chloro-2-methylpyrimidin-4-yl)thiazole

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
CC1=NC(=CC(=N1)Cl)C2=CN=CS2
InChI
InChI=1S/C8H6ClN3S/c1-5-11-6(2-8(9)12-5)7-3-10-4-13-7/h2-4H,1H3
InChIKey
ZZERMVPXBLHOHQ-UHFFFAOYSA-N
Compound name
5-(6-chloro-2-methylpyrimidin-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

210.9971 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00438 141.6
[M+Na]+ 233.98632 157.1
[M+NH4]+ 229.03092 150.9
[M+K]+ 249.96026 149.1
[M-H]- 209.98982 144.7
[M+Na-2H]- 231.97177 150.0
[M]+ 210.99655 145.5
[M]- 210.99765 145.5
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 literature data available for this compound.

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No patent data available for this compound.