CID 41628

55798-57-7

Structural Information

Molecular Formula
C20H25NO7
SMILES
CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC
InChI
InChI=1S/C20H25NO7/c1-6-20(7-2)17(22)13(10-21-19(20)24)11-28-18(23)12-8-14(25-3)16(27-5)15(9-12)26-4/h8-10H,6-7,11H2,1-5H3,(H,21,24)
InChIKey
PYPJQQVSWUHBLH-UHFFFAOYSA-N
Compound name
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16312 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17040 187.2
[M+Na]+ 414.15234 194.8
[M-H]- 390.15584 191.5
[M+NH4]+ 409.19694 199.0
[M+K]+ 430.12628 193.0
[M+H-H2O]+ 374.16038 179.4
[M+HCOO]- 436.16132 204.7
[M+CH3COO]- 450.17697 220.5
[M+Na-2H]- 412.13779 186.8
[M]+ 391.16257 194.4
[M]- 391.16367 194.4
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.