CID 50646

Brn 0296792

Structural Information

Molecular Formula
C15H24N2O4
SMILES
CC(C)CCC1(C(=O)NC(=O)NC1=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C15H24N2O4/c1-9(2)6-7-15(8-10(18)14(3,4)5)11(19)16-13(21)17-12(15)20/h9H,6-8H2,1-5H3,(H2,16,17,19,20,21)
InChIKey
PJVZTXOOXATUPQ-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyl-2-oxobutyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.18088 168.7
[M+Na]+ 319.16282 174.3
[M-H]- 295.16632 166.4
[M+NH4]+ 314.20742 182.2
[M+K]+ 335.13676 171.5
[M+H-H2O]+ 279.17086 163.7
[M+HCOO]- 341.17180 179.4
[M+CH3COO]- 355.18745 200.4
[M+Na-2H]- 317.14827 168.4
[M]+ 296.17305 166.7
[M]- 296.17415 166.7
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.