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]+ 253.191056 159.2
[M+Na]+ 275.172998 165.5
[M-H]- 251.176504 161.1
[M+NH4]+ 270.217603 177.2
[M+K]+ 291.146938 163.4
[M+H-H2O]+ 235.181040 153.1
[M+HCOO]- 297.181981 178.8
[M+CH3COO]- 311.197631 200.9
[M+Na-2H]- 273.158446 161.3
[M]+ 252.18323142 160.2
[M]- 252.18432858 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.