CID 3051514

67466-19-7

Structural Information

Molecular Formula
C16H24N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CCC(C)C)CC=C
InChI
InChI=1S/C16H24N2O5/c1-5-8-16(9-7-11(3)4)13(20)17-15(22)18(14(16)21)10-12(19)23-6-2/h5,11H,1,6-10H2,2-4H3,(H,17,20,22)
InChIKey
IGWHPLZYVCQJBU-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(3-methylbutyl)-2,4,6-trioxo-5-prop-2-enyl-1,3-diazinan-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16852 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.17580 177.4
[M+Na]+ 347.15774 184.8
[M+NH4]+ 342.20234 181.1
[M+K]+ 363.13168 179.6
[M-H]- 323.16124 173.6
[M+Na-2H]- 345.14319 177.4
[M]+ 324.16797 176.8
[M]- 324.16907 176.8
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.