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]+ 220.06360 145.6
[M+Na]+ 242.04554 156.2
[M-H]- 218.04904 148.2
[M+NH4]+ 237.09014 160.9
[M+K]+ 258.01948 150.5
[M+H-H2O]+ 202.05358 136.6
[M+HCOO]- 264.05452 162.1
[M+CH3COO]- 278.07017 158.1
[M+Na-2H]- 240.03099 153.4
[M]+ 219.05577 147.7
[M]- 219.05687 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.