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]+ 289.15468 161.9
[M+Na]+ 311.13662 170.8
[M-H]- 287.14012 162.5
[M+NH4]+ 306.18122 177.5
[M+K]+ 327.11056 165.4
[M+H-H2O]+ 271.14466 155.8
[M+HCOO]- 333.14560 179.2
[M+CH3COO]- 347.16125 204.8
[M+Na-2H]- 309.12207 162.2
[M]+ 288.14685 163.0
[M]- 288.14795 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.