CID 3066999

2,4(1h,3h)-pyridinedione, 3,3-diethyl-1-(1-piperazinylmethyl)-

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CCC1(C(=O)C=CN(C1=O)CN2CCNCC2)CC
InChI
InChI=1S/C14H23N3O2/c1-3-14(4-2)12(18)5-8-17(13(14)19)11-16-9-6-15-7-10-16/h5,8,15H,3-4,6-7,9-11H2,1-2H3
InChIKey
MMGVQQXRNDQEPP-UHFFFAOYSA-N
Compound name
3,3-diethyl-1-(piperazin-1-ylmethyl)pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

265.17902 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 165.8
[M+Na]+ 288.168238 171.0
[M-H]- 264.171744 165.8
[M+NH4]+ 283.212843 179.3
[M+K]+ 304.142178 167.1
[M+H-H2O]+ 248.176280 156.8
[M+HCOO]- 310.177221 178.1
[M+CH3COO]- 324.192871 195.0
[M+Na-2H]- 286.153686 167.2
[M]+ 265.17847142 160.3
[M]- 265.17956858 160.3
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

patents stripe