CID 3058016

2,4(1h,3h)-pyridinedione, 3,3-diethyl-1-(4-nitrobenzoyl)-

Structural Information

Molecular Formula
C16H16N2O5
SMILES
CCC1(C(=O)C=CN(C1=O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC
InChI
InChI=1S/C16H16N2O5/c1-3-16(4-2)13(19)9-10-17(15(16)21)14(20)11-5-7-12(8-6-11)18(22)23/h5-10H,3-4H2,1-2H3
InChIKey
LSXZYOYTBJVZAO-UHFFFAOYSA-N
Compound name
3,3-diethyl-1-(4-nitrobenzoyl)pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11321 170.2
[M+Na]+ 339.09515 183.0
[M+NH4]+ 334.13975 177.0
[M+K]+ 355.06909 178.4
[M-H]- 315.09865 173.1
[M+Na-2H]- 337.08060 176.7
[M]+ 316.10538 172.7
[M]- 316.10648 172.7
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.