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]+ 295.12886 162.7
[M+Na]+ 317.11080 170.3
[M-H]- 293.11430 161.8
[M+NH4]+ 312.15540 176.9
[M+K]+ 333.08474 166.8
[M+H-H2O]+ 277.11884 156.7
[M+HCOO]- 339.11978 178.4
[M+CH3COO]- 353.13543 200.5
[M+Na-2H]- 315.09625 163.1
[M]+ 294.12103 163.7
[M]- 294.12213 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.