CID 71300225

Ethyl 3-cyano-4-phenylpyridine-2-carboxylate

Structural Information

Molecular Formula
C15H12N2O2
SMILES
CCOC(=O)C1=NC=CC(=C1C#N)C2=CC=CC=C2
InChI
InChI=1S/C15H12N2O2/c1-2-19-15(18)14-13(10-16)12(8-9-17-14)11-6-4-3-5-7-11/h3-9H,2H2,1H3
InChIKey
BIFWETVABGZJTE-UHFFFAOYSA-N
Compound name
ethyl 3-cyano-4-phenylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 158.8
[M+Na]+ 275.079088 168.7
[M-H]- 251.082594 162.7
[M+NH4]+ 270.123693 172.5
[M+K]+ 291.053028 163.8
[M+H-H2O]+ 235.087130 143.8
[M+HCOO]- 297.088071 177.3
[M+CH3COO]- 311.103721 205.4
[M+Na-2H]- 273.064536 162.9
[M]+ 252.08932142 155.2
[M]- 252.09041858 155.2
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.