CID 3058014

74401-78-8

Structural Information

Molecular Formula
C19H23NO6
SMILES
CCC1(C(=O)C=CN(C1=O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)CC
InChI
InChI=1S/C19H23NO6/c1-6-19(7-2)15(21)8-9-20(18(19)23)17(22)12-10-13(24-3)16(26-5)14(11-12)25-4/h8-11H,6-7H2,1-5H3
InChIKey
VTCCICVYHVSNEK-UHFFFAOYSA-N
Compound name
3,3-diethyl-1-(3,4,5-trimethoxybenzoyl)pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.15253 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.15981 179.3
[M+Na]+ 384.14175 188.0
[M-H]- 360.14525 185.2
[M+NH4]+ 379.18635 193.1
[M+K]+ 400.11569 186.5
[M+H-H2O]+ 344.14979 171.5
[M+HCOO]- 406.15073 198.5
[M+CH3COO]- 420.16638 217.6
[M+Na-2H]- 382.12720 179.6
[M]+ 361.15198 186.5
[M]- 361.15308 186.5
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.