CID 3051516

67466-20-0

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)C(C)C
InChI
InChI=1S/C14H20N2O5/c1-5-7-14(9(3)4)11(18)15-13(20)16(12(14)19)8-10(17)21-6-2/h5,9H,1,6-8H2,2-4H3,(H,15,18,20)
InChIKey
ADGLCCATILGHJS-UHFFFAOYSA-N
Compound name
ethyl 2-(2,4,6-trioxo-5-propan-2-yl-5-prop-2-enyl-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 163.7
[M+Na]+ 319.12642 170.8
[M-H]- 295.12992 162.9
[M+NH4]+ 314.17102 177.9
[M+K]+ 335.10036 168.5
[M+H-H2O]+ 279.13446 157.9
[M+HCOO]- 341.13540 178.2
[M+CH3COO]- 355.15105 202.2
[M+Na-2H]- 317.11187 162.9
[M]+ 296.13665 164.8
[M]- 296.13775 164.8
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.