CID 48538

Barbituric acid, 1-allyl-5-ethyl-5-isopropenyl-

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CC=C)C(=C)C
InChI
InChI=1S/C12H16N2O3/c1-5-7-14-10(16)12(6-2,8(3)4)9(15)13-11(14)17/h5H,1,3,6-7H2,2,4H3,(H,13,15,17)
InChIKey
SGAWCNSMXBBICW-UHFFFAOYSA-N
Compound name
5-ethyl-5-prop-1-en-2-yl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 150.1
[M+Na]+ 259.105308 158.6
[M-H]- 235.108814 149.8
[M+NH4]+ 254.149913 167.0
[M+K]+ 275.079248 155.0
[M+H-H2O]+ 219.113350 144.8
[M+HCOO]- 281.114291 165.9
[M+CH3COO]- 295.129941 191.5
[M+Na-2H]- 257.090756 151.2
[M]+ 236.11554142 148.3
[M]- 236.11663858 148.3
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.