CID 12183952

Methyl 2,6-diphenylpyridine-4-carboxylate

Structural Information

Molecular Formula
C19H15NO2
SMILES
COC(=O)C1=CC(=NC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H15NO2/c1-22-19(21)16-12-17(14-8-4-2-5-9-14)20-18(13-16)15-10-6-3-7-11-15/h2-13H,1H3
InChIKey
JOOROBCJEYIHBD-UHFFFAOYSA-N
Compound name
methyl 2,6-diphenylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

289.1103 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 167.4
[M+Na]+ 312.09952 174.9
[M-H]- 288.10302 175.8
[M+NH4]+ 307.14412 180.9
[M+K]+ 328.07346 170.0
[M+H-H2O]+ 272.10756 157.4
[M+HCOO]- 334.10850 189.6
[M+CH3COO]- 348.12415 179.0
[M+Na-2H]- 310.08497 172.6
[M]+ 289.10975 168.0
[M]- 289.11085 168.0
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

patents stripe