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]+ 209.047616 141.9
[M+Na]+ 231.029558 152.9
[M-H]- 207.033064 146.9
[M+NH4]+ 226.074163 159.6
[M+K]+ 247.003498 149.5
[M+H-H2O]+ 191.037600 134.5
[M+HCOO]- 253.038541 160.2
[M+CH3COO]- 267.054191 155.8
[M+Na-2H]- 229.015006 148.0
[M]+ 208.03979142 146.0
[M]- 208.04088858 146.0
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

No patent data available for this compound.