CID 43557585

4-chloro-6-ethyl-2-(pyridin-2-yl)pyrimidine

Structural Information

Molecular Formula
C11H10ClN3
SMILES
CCC1=CC(=NC(=N1)C2=CC=CC=N2)Cl
InChI
InChI=1S/C11H10ClN3/c1-2-8-7-10(12)15-11(14-8)9-5-3-4-6-13-9/h3-7H,2H2,1H3
InChIKey
HPNRIBDEYPPKJX-UHFFFAOYSA-N
Compound name
4-chloro-6-ethyl-2-pyridin-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.05632 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.063596 145.6
[M+Na]+ 242.045538 156.2
[M-H]- 218.049044 148.2
[M+NH4]+ 237.090143 160.9
[M+K]+ 258.019478 150.5
[M+H-H2O]+ 202.053580 136.6
[M+HCOO]- 264.054521 162.1
[M+CH3COO]- 278.070171 158.1
[M+Na-2H]- 240.030986 153.4
[M]+ 219.05577142 147.7
[M]- 219.05686858 147.7
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.