CID 3051508

67466-16-4

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCC(C)C1(C(=O)NC(=O)N(C1=O)CC(=O)OCC)CC=C
InChI
InChI=1S/C15H22N2O5/c1-5-8-15(10(4)6-2)12(19)16-14(21)17(13(15)20)9-11(18)22-7-3/h5,10H,1,6-9H2,2-4H3,(H,16,19,21)
InChIKey
OOORMIIQRWVLNM-UHFFFAOYSA-N
Compound name
ethyl 2-(5-butan-2-yl-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

310.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 173.2
[M+Na]+ 333.14208 180.8
[M+NH4]+ 328.18668 177.1
[M+K]+ 349.11602 175.9
[M-H]- 309.14558 169.5
[M+Na-2H]- 331.12753 173.5
[M]+ 310.15231 172.7
[M]- 310.15341 172.7
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.