CID 59575769

Ethyl 1-benzyl-5-hydroxy-2-oxo-1,2,3,6-tetrahydropyridine-4-carboxylate

Structural Information

Molecular Formula
C15H17NO4
SMILES
CCOC(=O)C1=C(CN(C(=O)C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO4/c1-2-20-15(19)12-8-14(18)16(10-13(12)17)9-11-6-4-3-5-7-11/h3-7,17H,2,8-10H2,1H3
InChIKey
ZJCSSAVUFFCYCC-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-3-hydroxy-6-oxo-2,5-dihydropyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

275.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12303 163.1
[M+Na]+ 298.10497 175.2
[M+NH4]+ 293.14957 169.3
[M+K]+ 314.07891 169.6
[M-H]- 274.10847 164.9
[M+Na-2H]- 296.09042 168.7
[M]+ 275.11520 165.1
[M]- 275.11630 165.1
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

patents stripe