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 172.4
[M+Na]+ 347.15774 178.7
[M-H]- 323.16124 171.3
[M+NH4]+ 342.20234 185.5
[M+K]+ 363.13168 175.9
[M+H-H2O]+ 307.16578 166.3
[M+HCOO]- 369.16672 186.3
[M+CH3COO]- 383.18237 208.1
[M+Na-2H]- 345.14319 170.7
[M]+ 324.16797 174.3
[M]- 324.16907 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.