CID 3025641

104691-83-0

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C=CCC1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C13H16N2O3/c1-4-7-10-11(16)14(8-5-2)13(18)15(9-6-3)12(10)17/h4-6,10H,1-3,7-9H2
InChIKey
RFKSGQUJJHKFML-UHFFFAOYSA-N
Compound name
1,3,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.123366 153.9
[M+Na]+ 271.105308 162.9
[M-H]- 247.108814 154.6
[M+NH4]+ 266.149913 169.1
[M+K]+ 287.079248 158.3
[M+H-H2O]+ 231.113350 147.1
[M+HCOO]- 293.114291 171.9
[M+CH3COO]- 307.129941 197.1
[M+Na-2H]- 269.090756 154.0
[M]+ 248.11554142 154.2
[M]- 248.11663858 154.2
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

patents stripe