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: 4
Patents: 248.11609 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.12337	153.9
[M+Na]+	271.10531	162.9
[M-H]-	247.10881	154.6
[M+NH4]+	266.14991	169.1
[M+K]+	287.07925	158.3
[M+H-H2O]+	231.11335	147.1
[M+HCOO]-	293.11429	171.9
[M+CH3COO]-	307.12994	197.1
[M+Na-2H]-	269.09076	154.0
[M]+	248.11554	154.2
[M]-	248.11664	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe