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]+ 271.107706 160.9
[M+Na]+ 293.089648 167.0
[M-H]- 269.093154 166.1
[M+NH4]+ 288.134253 175.0
[M+K]+ 309.063588 164.2
[M+H-H2O]+ 253.097690 151.9
[M+HCOO]- 315.098631 183.7
[M+CH3COO]- 329.114281 198.6
[M+Na-2H]- 291.075096 165.8
[M]+ 270.09988142 161.9
[M]- 270.10097858 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.