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 162.0
[M+Na]+ 298.10497 168.5
[M-H]- 274.10847 165.8
[M+NH4]+ 293.14957 175.9
[M+K]+ 314.07891 165.4
[M+H-H2O]+ 258.11301 153.9
[M+HCOO]- 320.11395 180.5
[M+CH3COO]- 334.12960 196.2
[M+Na-2H]- 296.09042 163.9
[M]+ 275.11520 162.0
[M]- 275.11630 162.0
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