CID 678560

3-cyano-2-ethoxy-4,6-diphenylpyridine

Structural Information

Molecular Formula
C20H16N2O
SMILES
CCOC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C20H16N2O/c1-2-23-20-18(14-21)17(15-9-5-3-6-10-15)13-19(22-20)16-11-7-4-8-12-16/h3-13H,2H2,1H3
InChIKey
LILZXGWRQBRMKC-UHFFFAOYSA-N
Compound name
2-ethoxy-4,6-diphenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

300.12625 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 174.9
[M+Na]+ 323.11547 185.2
[M-H]- 299.11897 180.7
[M+NH4]+ 318.16007 186.4
[M+K]+ 339.08941 177.0
[M+H-H2O]+ 283.12351 158.4
[M+HCOO]- 345.12445 193.2
[M+CH3COO]- 359.14010 184.3
[M+Na-2H]- 321.10092 178.7
[M]+ 300.12570 170.4
[M]- 300.12680 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe