CID 13074

Barbituric acid, 5,5-diallyl-1-methyl-

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CN1C(=O)C(C(=O)NC1=O)(CC=C)CC=C
InChI
InChI=1S/C11H14N2O3/c1-4-6-11(7-5-2)8(14)12-10(16)13(3)9(11)15/h4-5H,1-2,6-7H2,3H3,(H,12,14,16)
InChIKey
FXHBIVKHYQDNOX-UHFFFAOYSA-N
Compound name
1-methyl-5,5-bis(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 146.3
[M+Na]+ 245.089668 155.4
[M-H]- 221.093174 146.0
[M+NH4]+ 240.134273 163.8
[M+K]+ 261.063608 151.5
[M+H-H2O]+ 205.097710 140.8
[M+HCOO]- 267.098651 163.4
[M+CH3COO]- 281.114301 187.5
[M+Na-2H]- 243.075116 148.9
[M]+ 222.09990142 144.7
[M]- 222.10099858 144.7
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