CID 487217

[(1-benzyl-2-oxo-ethyl)amino] pyridine-3-carboxylate

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)CC(C=O)NOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H14N2O3/c18-11-14(9-12-5-2-1-3-6-12)17-20-15(19)13-7-4-8-16-10-13/h1-8,10-11,14,17H,9H2
InChIKey
FIKDQFMQOLGKFF-UHFFFAOYSA-N
Compound name
[(1-oxo-3-phenylpropan-2-yl)amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.6
[M+Na]+ 293.08965 165.6
[M-H]- 269.09315 165.4
[M+NH4]+ 288.13425 174.2
[M+K]+ 309.06359 162.7
[M+H-H2O]+ 253.09769 151.4
[M+HCOO]- 315.09863 183.4
[M+CH3COO]- 329.11428 198.1
[M+Na-2H]- 291.07510 166.3
[M]+ 270.09988 161.2
[M]- 270.10098 161.2
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.