CID 3051586

67489-33-2

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CCCCC1(C(=O)NC(=O)N(C1=O)CC(=O)OCC)CC=C
InChI
InChI=1S/C15H22N2O5/c1-4-7-9-15(8-5-2)12(19)16-14(21)17(13(15)20)10-11(18)22-6-3/h5H,2,4,6-10H2,1,3H3,(H,16,19,21)
InChIKey
MBDBKMSDYWNAPP-UHFFFAOYSA-N
Compound name
ethyl 2-(5-butyl-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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 173.8
[M+Na]+ 333.14208 181.8
[M+NH4]+ 328.18668 177.8
[M+K]+ 349.11602 176.0
[M-H]- 309.14558 170.3
[M+Na-2H]- 331.12753 174.3
[M]+ 310.15231 173.4
[M]- 310.15341 173.4
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.