CID 3065041

106463-25-6

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCCC(C)C1(C(=O)N(C(=O)N(C1=O)CC=C)C)CC
InChI
InChI=1S/C15H24N2O3/c1-6-9-11(4)15(8-3)12(18)16(5)14(20)17(10-7-2)13(15)19/h7,11H,2,6,8-10H2,1,3-5H3
InChIKey
SSSONBJSZXDQKV-UHFFFAOYSA-N
Compound name
5-ethyl-1-methyl-5-pentan-2-yl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.185956 162.3
[M+Na]+ 303.167898 170.5
[M-H]- 279.171404 163.1
[M+NH4]+ 298.212503 178.5
[M+K]+ 319.141838 167.7
[M+H-H2O]+ 263.175940 156.4
[M+HCOO]- 325.176881 178.4
[M+CH3COO]- 339.192531 205.1
[M+Na-2H]- 301.153346 161.7
[M]+ 280.17813142 164.5
[M]- 280.17922858 164.5
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.