CID 48443

Dtxsid40985640

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CCC(C)CN1C(=O)C(C(=O)NC1=O)(CC)CC
InChI
InChI=1S/C13H22N2O3/c1-5-9(4)8-15-11(17)13(6-2,7-3)10(16)14-12(15)18/h9H,5-8H2,1-4H3,(H,14,16,18)
InChIKey
ACWSKGSGJTVNHL-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(2-methylbutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16304 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.170316 157.8
[M+Na]+ 277.152258 165.3
[M-H]- 253.155764 157.2
[M+NH4]+ 272.196863 174.1
[M+K]+ 293.126198 162.6
[M+H-H2O]+ 237.160300 152.1
[M+HCOO]- 299.161241 172.9
[M+CH3COO]- 313.176891 196.1
[M+Na-2H]- 275.137706 158.2
[M]+ 254.16249142 157.7
[M]- 254.16358858 157.7
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.