CID 3050733

66968-32-9

Structural Information

Molecular Formula
C15H26N2O3
SMILES
CCC(CCC(C)C)CC1(C(=O)NC(=O)NC1=O)CC
InChI
InChI=1S/C15H26N2O3/c1-5-11(8-7-10(3)4)9-15(6-2)12(18)16-14(20)17-13(15)19/h10-11H,5-9H2,1-4H3,(H2,16,17,18,19,20)
InChIKey
FTTYRSOJRKTVTR-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.19434 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20162 168.4
[M+Na]+ 305.18356 173.3
[M-H]- 281.18706 165.7
[M+NH4]+ 300.22816 182.4
[M+K]+ 321.15750 169.9
[M+H-H2O]+ 265.19160 162.4
[M+HCOO]- 327.19254 180.2
[M+CH3COO]- 341.20819 199.3
[M+Na-2H]- 303.16901 166.7
[M]+ 282.19379 166.1
[M]- 282.19489 166.1
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.