CID 63204889

4-chloro-6-ethyl-2-(furan-3-yl)pyrimidine

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CCC1=CC(=NC(=N1)C2=COC=C2)Cl
InChI
InChI=1S/C10H9ClN2O/c1-2-8-5-9(11)13-10(12-8)7-3-4-14-6-7/h3-6H,2H2,1H3
InChIKey
CQIRVAUANJUQNJ-UHFFFAOYSA-N
Compound name
4-chloro-6-ethyl-2-(furan-3-yl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 141.5
[M+Na]+ 231.02956 157.4
[M+NH4]+ 226.07416 150.5
[M+K]+ 247.00350 151.7
[M-H]- 207.03306 146.0
[M+Na-2H]- 229.01501 150.2
[M]+ 208.03979 145.5
[M]- 208.04089 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.