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]+ 325.175796 172.4
[M+Na]+ 347.157738 178.7
[M-H]- 323.161244 171.3
[M+NH4]+ 342.202343 185.5
[M+K]+ 363.131678 175.9
[M+H-H2O]+ 307.165780 166.3
[M+HCOO]- 369.166721 186.3
[M+CH3COO]- 383.182371 208.1
[M+Na-2H]- 345.143186 170.7
[M]+ 324.16797142 174.3
[M]- 324.16906858 174.3
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.