CID 48815

Barbituric acid, 5-ethyl-5-(1-naphthyl)-

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]+ 283.107706 165.3
[M+Na]+ 305.089648 173.8
[M-H]- 281.093154 167.6
[M+NH4]+ 300.134253 179.9
[M+K]+ 321.063588 167.5
[M+H-H2O]+ 265.097690 156.8
[M+HCOO]- 327.098631 179.8
[M+CH3COO]- 341.114281 175.3
[M+Na-2H]- 303.075096 169.8
[M]+ 282.09988142 161.0
[M]- 282.10097858 161.0
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.