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]+ 332.149246 173.2
[M+Na]+ 354.131188 181.8
[M-H]- 330.134694 179.1
[M+NH4]+ 349.175793 188.2
[M+K]+ 370.105128 179.6
[M+H-H2O]+ 314.139230 165.6
[M+HCOO]- 376.140171 192.7
[M+CH3COO]- 390.155821 211.1
[M+Na-2H]- 352.116636 174.5
[M]+ 331.14142142 178.3
[M]- 331.14251858 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.