CID 41630

Benzoic acid, 2-hydroxy-, (1,4,5,6-tetrahydro-5,5-diethyl-4,6-dioxo-3-pyridinyl)methyl ester

Structural Information

Molecular Formula
C17H19NO5
SMILES
CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2O)CC
InChI
InChI=1S/C17H19NO5/c1-3-17(4-2)14(20)11(9-18-16(17)22)10-23-15(21)12-7-5-6-8-13(12)19/h5-9,19H,3-4,10H2,1-2H3,(H,18,22)
InChIKey
JPGZVCJOEUQNOE-UHFFFAOYSA-N
Compound name
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1263 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 173.6
[M+Na]+ 340.11552 184.8
[M+NH4]+ 335.16012 179.7
[M+K]+ 356.08946 178.0
[M-H]- 316.11902 174.1
[M+Na-2H]- 338.10097 178.9
[M]+ 317.12575 175.1
[M]- 317.12685 175.1
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

No patent data available for this compound.