CID 47145

64058-20-4

Structural Information

Molecular Formula
C15H26N2O3
SMILES
CCCCN1C(=O)C(C(=O)NC1=O)(CC)CCC(C)C
InChI
InChI=1S/C15H26N2O3/c1-5-7-10-17-13(19)15(6-2,9-8-11(3)4)12(18)16-14(17)20/h11H,5-10H2,1-4H3,(H,16,18,20)
InChIKey
BZJHLKXPSNYSSF-UHFFFAOYSA-N
Compound name
1-butyl-5-ethyl-5-(3-methylbutyl)-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20162 166.6
[M+Na]+ 305.18356 173.2
[M-H]- 281.18706 165.6
[M+NH4]+ 300.22816 181.8
[M+K]+ 321.15750 170.1
[M+H-H2O]+ 265.19160 160.5
[M+HCOO]- 327.19254 181.0
[M+CH3COO]- 341.20819 202.1
[M+Na-2H]- 303.16901 166.0
[M]+ 282.19379 167.2
[M]- 282.19489 167.2
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.