CID 3058013

2,4(1h,3h)-pyridinedione, 3,3-diethyl-1-(3,5-dimethoxybenzoyl)-

Structural Information

Molecular Formula
C18H21NO5
SMILES
CCC1(C(=O)C=CN(C1=O)C(=O)C2=CC(=CC(=C2)OC)OC)CC
InChI
InChI=1S/C18H21NO5/c1-5-18(6-2)15(20)7-8-19(17(18)22)16(21)12-9-13(23-3)11-14(10-12)24-4/h7-11H,5-6H2,1-4H3
InChIKey
PJNAPJNFPCARFY-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxybenzoyl)-3,3-diethylpyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.14197 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14925 173.2
[M+Na]+ 354.13119 181.8
[M-H]- 330.13469 179.1
[M+NH4]+ 349.17579 188.2
[M+K]+ 370.10513 179.6
[M+H-H2O]+ 314.13923 165.6
[M+HCOO]- 376.14017 192.7
[M+CH3COO]- 390.15582 211.1
[M+Na-2H]- 352.11664 174.5
[M]+ 331.14142 178.3
[M]- 331.14252 178.3
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.