CID 3051510

67466-17-5

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC(=O)OCC)CC=C
InChI
InChI=1S/C13H18N2O5/c1-4-7-13(5-2)10(17)14-12(19)15(11(13)18)8-9(16)20-6-3/h4H,1,5-8H2,2-3H3,(H,14,17,19)
InChIKey
CHVLJLSFYRIWKW-UHFFFAOYSA-N
Compound name
ethyl 2-(5-ethyl-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

282.12158 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 160.0
[M+Na]+ 305.11080 167.7
[M-H]- 281.11430 159.3
[M+NH4]+ 300.15540 174.8
[M+K]+ 321.08474 165.1
[M+H-H2O]+ 265.11884 154.0
[M+HCOO]- 327.11978 175.8
[M+CH3COO]- 341.13543 198.3
[M+Na-2H]- 303.09625 160.8
[M]+ 282.12103 161.3
[M]- 282.12213 161.3
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.