CID 48815

5-ethyl-5-(1-naphthyl)barbituric acid

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H14N2O3/c1-2-16(13(19)17-15(21)18-14(16)20)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,17,18,19,20,21)
InChIKey
HPNFKTSMYRTNBI-UHFFFAOYSA-N
Compound name
5-ethyl-5-naphthalen-1-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 165.6
[M+Na]+ 305.08965 179.2
[M+NH4]+ 300.13425 173.6
[M+K]+ 321.06359 170.5
[M-H]- 281.09315 167.6
[M+Na-2H]- 303.07510 172.4
[M]+ 282.09988 168.1
[M]- 282.10098 168.1
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.