CID 3043578

3,3-diethyl-5-diethylaminomethyl-2,4-pyridinedione

Structural Information

Molecular Formula
C14H24N2O2
SMILES
CCC1(C(=O)C(=CNC1=O)CN(CC)CC)CC
InChI
InChI=1S/C14H24N2O2/c1-5-14(6-2)12(17)11(9-15-13(14)18)10-16(7-3)8-4/h9H,5-8,10H2,1-4H3,(H,15,18)
InChIKey
OIYSCNSURGVUNK-UHFFFAOYSA-N
Compound name
5-(diethylaminomethyl)-3,3-diethyl-1H-pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19106 159.2
[M+Na]+ 275.17300 165.5
[M-H]- 251.17650 161.1
[M+NH4]+ 270.21760 177.2
[M+K]+ 291.14694 163.4
[M+H-H2O]+ 235.18104 153.1
[M+HCOO]- 297.18198 178.8
[M+CH3COO]- 311.19763 200.9
[M+Na-2H]- 273.15845 161.3
[M]+ 252.18323 160.2
[M]- 252.18433 160.2
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.