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]+ 281.18596 162.3
[M+Na]+ 303.16790 170.5
[M-H]- 279.17140 163.1
[M+NH4]+ 298.21250 178.5
[M+K]+ 319.14184 167.7
[M+H-H2O]+ 263.17594 156.4
[M+HCOO]- 325.17688 178.4
[M+CH3COO]- 339.19253 205.1
[M+Na-2H]- 301.15335 161.7
[M]+ 280.17813 164.5
[M]- 280.17923 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.