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]+ 283.201616 168.4
[M+Na]+ 305.183558 173.3
[M-H]- 281.187064 165.7
[M+NH4]+ 300.228163 182.4
[M+K]+ 321.157498 169.9
[M+H-H2O]+ 265.191600 162.4
[M+HCOO]- 327.192541 180.2
[M+CH3COO]- 341.208191 199.3
[M+Na-2H]- 303.169006 166.7
[M]+ 282.19379142 166.1
[M]- 282.19488858 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.