CID 26521

N,n'-diallylbarbital

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

CCC1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)CC

InChI

InChI=1S/C14H20N2O3/c1-5-9-15-11(17)14(7-3,8-4)12(18)16(10-6-2)13(15)19/h5-6H,1-2,7-10H2,3-4H3

InChIKey

OQJNEKQRESAPIR-UHFFFAOYSA-N

Compound name

5,5-diethyl-1,3-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.1474 Da
Monoisotopic Mass: 2.1
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]+	265.154676	156.7
[M+Na]+	287.136618	165.9
[M-H]-	263.140124	157.7
[M+NH4]+	282.181223	173.5
[M+K]+	303.110558	162.2
[M+H-H2O]+	247.144660	150.8
[M+HCOO]-	309.145601	174.3
[M+CH3COO]-	323.161251	200.4
[M+Na-2H]-	285.122066	157.9
[M]+	264.14685142	158.5
[M]-	264.14794858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe