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 160.9
[M+Na]+ 293.08965 167.0
[M-H]- 269.09315 166.1
[M+NH4]+ 288.13425 175.0
[M+K]+ 309.06359 164.2
[M+H-H2O]+ 253.09769 151.9
[M+HCOO]- 315.09863 183.7
[M+CH3COO]- 329.11428 198.6
[M+Na-2H]- 291.07510 165.8
[M]+ 270.09988 161.9
[M]- 270.10098 161.9
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.