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
Annotation Hits

0
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 159.8
[M+Na]+ 273.15734 166.0
[M-H]- 249.16084 161.9
[M+NH4]+ 268.20194 177.4
[M+K]+ 289.13128 162.2
[M+H-H2O]+ 233.16538 152.6
[M+HCOO]- 295.16632 175.9
[M+CH3COO]- 309.18197 191.6
[M+Na-2H]- 271.14279 160.0
[M]+ 250.16757 156.1
[M]- 250.16867 156.1
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.