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]+ 392.170396 187.2
[M+Na]+ 414.152338 194.8
[M-H]- 390.155844 191.5
[M+NH4]+ 409.196943 199.0
[M+K]+ 430.126278 193.0
[M+H-H2O]+ 374.160380 179.4
[M+HCOO]- 436.161321 204.7
[M+CH3COO]- 450.176971 220.5
[M+Na-2H]- 412.137786 186.8
[M]+ 391.16257142 194.4
[M]- 391.16366858 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.