CID 3043581

2,4(1h,3h)-pyridinedione, 3,3-diethyl-5-((4-methyl-1-piperazinyl)methyl)-

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CCC1(C(=O)C(=CNC1=O)CN2CCN(CC2)C)CC
InChI
InChI=1S/C15H25N3O2/c1-4-15(5-2)13(19)12(10-16-14(15)20)11-18-8-6-17(3)7-9-18/h10H,4-9,11H2,1-3H3,(H,16,20)
InChIKey
AJMLNXQPNDPMIL-UHFFFAOYSA-N
Compound name
3,3-diethyl-5-[(4-methylpiperazin-1-yl)methyl]-1H-pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 169.7
[M+Na]+ 302.18389 175.6
[M-H]- 278.18739 170.1
[M+NH4]+ 297.22849 183.1
[M+K]+ 318.15783 171.4
[M+H-H2O]+ 262.19193 161.0
[M+HCOO]- 324.19287 181.8
[M+CH3COO]- 338.20852 199.2
[M+Na-2H]- 300.16934 170.1
[M]+ 279.19412 165.1
[M]- 279.19522 165.1
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.