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

0
Patents

265.17902 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 165.8
[M+Na]+ 288.16824 171.0
[M-H]- 264.17174 165.8
[M+NH4]+ 283.21284 179.3
[M+K]+ 304.14218 167.1
[M+H-H2O]+ 248.17628 156.8
[M+HCOO]- 310.17722 178.1
[M+CH3COO]- 324.19287 195.0
[M+Na-2H]- 286.15369 167.2
[M]+ 265.17847 160.3
[M]- 265.17957 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