CID 678565

60847-68-9

Structural Information

Molecular Formula
C19H14N2O
SMILES
COC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C19H14N2O/c1-22-19-17(13-20)16(14-8-4-2-5-9-14)12-18(21-19)15-10-6-3-7-11-15/h2-12H,1H3
InChIKey
AZCJARWALWIYCW-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-diphenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

286.11063 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.11791 171.0
[M+Na]+ 309.09985 181.7
[M-H]- 285.10335 177.0
[M+NH4]+ 304.14445 183.1
[M+K]+ 325.07379 173.7
[M+H-H2O]+ 269.10789 154.7
[M+HCOO]- 331.10883 189.6
[M+CH3COO]- 345.12448 180.8
[M+Na-2H]- 307.08530 175.3
[M]+ 286.11008 166.2
[M]- 286.11118 166.2
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