CID 50677

5,5-diethyl-1-(p-tolyl)barbituric acid

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)C)CC
InChI
InChI=1S/C15H18N2O3/c1-4-15(5-2)12(18)16-14(20)17(13(15)19)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3,(H,16,18,20)
InChIKey
HLCBPIJXWDBVHD-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.1
[M+Na]+ 297.12096 171.1
[M-H]- 273.12446 165.2
[M+NH4]+ 292.16556 177.4
[M+K]+ 313.09490 166.8
[M+H-H2O]+ 257.12900 154.6
[M+HCOO]- 319.12994 178.9
[M+CH3COO]- 333.14559 198.2
[M+Na-2H]- 295.10641 164.1
[M]+ 274.13119 161.0
[M]- 274.13229 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.