CID 3043577

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

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CCC1(C(=O)C(=CNC1=O)CN2CCCC2)CC
InChI
InChI=1S/C14H22N2O2/c1-3-14(4-2)12(17)11(9-15-13(14)18)10-16-7-5-6-8-16/h9H,3-8,10H2,1-2H3,(H,15,18)
InChIKey
HSAKHDWRDWYQGC-UHFFFAOYSA-N
Compound name
3,3-diethyl-5-(pyrrolidin-1-ylmethyl)-1H-pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

250.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.7
[M+Na]+ 273.15734 171.3
[M+NH4]+ 268.20194 169.5
[M+K]+ 289.13128 165.2
[M-H]- 249.16084 162.4
[M+Na-2H]- 271.14279 166.0
[M]+ 250.16757 163.0
[M]- 250.16867 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.