CID 48444

5,5-diethyl-1-phenethylbarbituric acid

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC=CC=C2)CC
InChI
InChI=1S/C16H20N2O3/c1-3-16(4-2)13(19)17-15(21)18(14(16)20)11-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,17,19,21)
InChIKey
LPKCOSYKODKOEX-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(2-phenylethyl)-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 169.2
[M+Na]+ 311.13662 181.3
[M+NH4]+ 306.18122 176.2
[M+K]+ 327.11056 172.9
[M-H]- 287.14012 170.4
[M+Na-2H]- 309.12207 175.1
[M]+ 288.14685 171.1
[M]- 288.14795 171.1
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.