CID 48174

1,5,5-triallylbarbituric acid

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C=CCC1(C(=O)NC(=O)N(C1=O)CC=C)CC=C
InChI
InChI=1S/C13H16N2O3/c1-4-7-13(8-5-2)10(16)14-12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2,(H,14,16,18)
InChIKey
DHSLSLIRVCUYNP-UHFFFAOYSA-N
Compound name
1,5,5-tris(prop-2-enyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 159.4
[M+Na]+ 271.10531 169.2
[M+NH4]+ 266.14991 164.7
[M+K]+ 287.07925 161.7
[M-H]- 247.10881 156.9
[M+Na-2H]- 269.09076 161.5
[M]+ 248.11554 159.7
[M]- 248.11664 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.