CID 657658

Ethyl 5-benzoylaminonicotinate

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CCOC(=O)C1=CC(=CN=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2O3/c1-2-20-15(19)12-8-13(10-16-9-12)17-14(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKey
MMUNFMWSFAMFRW-UHFFFAOYSA-N
Compound name
ethyl 5-benzamidopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.10043 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 161.5
[M+Na]+ 293.08965 174.0
[M+NH4]+ 288.13425 168.1
[M+K]+ 309.06359 168.0
[M-H]- 269.09315 164.6
[M+Na-2H]- 291.07510 169.6
[M]+ 270.09988 163.9
[M]- 270.10098 163.9
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

No patent data available for this compound.