CID 3060463

78144-37-3

Structural Information

Molecular Formula
C15H25N3O2
SMILES
CCC1(C(=O)C=CN(C1=O)CN2CCN(CC2)C)CC
InChI
InChI=1S/C15H25N3O2/c1-4-15(5-2)13(19)6-7-18(14(15)20)12-17-10-8-16(3)9-11-17/h6-7H,4-5,8-12H2,1-3H3
InChIKey
DJKGBMOJHLFNOU-UHFFFAOYSA-N
Compound name
3,3-diethyl-1-[(4-methylpiperazin-1-yl)methyl]pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.19467 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20195 168.7
[M+Na]+ 302.18389 174.9
[M-H]- 278.18739 170.4
[M+NH4]+ 297.22849 182.7
[M+K]+ 318.15783 171.6
[M+H-H2O]+ 262.19193 159.6
[M+HCOO]- 324.19287 182.2
[M+CH3COO]- 338.20852 201.6
[M+Na-2H]- 300.16934 169.5
[M]+ 279.19412 165.8
[M]- 279.19522 165.8
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.