CID 3051520

67466-22-2

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCCC1(C(=O)NC(=O)N(C1=O)CC(=O)OCC)CC=C
InChI
InChI=1S/C14H20N2O5/c1-4-7-14(8-5-2)11(18)15-13(20)16(12(14)19)9-10(17)21-6-3/h4H,1,5-9H2,2-3H3,(H,15,18,20)
InChIKey
ZMJXWVUUUADIEZ-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,6-trioxo-5-prop-2-enyl-5-propyl-1,3-diazinan-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 164.3
[M+Na]+ 319.12642 171.6
[M-H]- 295.12992 163.5
[M+NH4]+ 314.17102 178.6
[M+K]+ 335.10036 168.8
[M+H-H2O]+ 279.13446 158.2
[M+HCOO]- 341.13540 179.8
[M+CH3COO]- 355.15105 201.3
[M+Na-2H]- 317.11187 164.7
[M]+ 296.13665 166.0
[M]- 296.13775 166.0
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.