CID 203324

Barbituric acid, 1,3,5,5-tetraallyl-

Structural Information

Molecular Formula
C16H20N2O3
SMILES
C=CCC1(C(=O)N(C(=O)N(C1=O)CC=C)CC=C)CC=C
InChI
InChI=1S/C16H20N2O3/c1-5-9-16(10-6-2)13(19)17(11-7-3)15(21)18(12-8-4)14(16)20/h5-8H,1-4,9-12H2
InChIKey
RQFRKGBHLXTYEM-UHFFFAOYSA-N
Compound name
1,3,5,5-tetrakis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 161.9
[M+Na]+ 311.136618 170.8
[M-H]- 287.140124 162.5
[M+NH4]+ 306.181223 177.5
[M+K]+ 327.110558 165.4
[M+H-H2O]+ 271.144660 155.8
[M+HCOO]- 333.145601 179.2
[M+CH3COO]- 347.161251 204.8
[M+Na-2H]- 309.122066 162.2
[M]+ 288.14685142 163.0
[M]- 288.14794858 163.0
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.