CID 3051521

Brn 0297188

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CCOC(=O)CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C
InChI
InChI=1S/C14H18N2O5/c1-4-7-14(8-5-2)11(18)15-13(20)16(12(14)19)9-10(17)21-6-3/h4-5H,1-2,6-9H2,3H3,(H,15,18,20)
InChIKey
SOWQIXNBDCSFAZ-UHFFFAOYSA-N
Compound name
ethyl 2-[2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 162.7
[M+Na]+ 317.110798 170.3
[M-H]- 293.114304 161.8
[M+NH4]+ 312.155403 176.9
[M+K]+ 333.084738 166.8
[M+H-H2O]+ 277.118840 156.7
[M+HCOO]- 339.119781 178.4
[M+CH3COO]- 353.135431 200.5
[M+Na-2H]- 315.096246 163.1
[M]+ 294.12103142 163.7
[M]- 294.12212858 163.7
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.