CID 13968

1-cyclohexyl-5-ethyl-3-phenylbarbituric acid

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C18H22N2O3/c1-2-15-16(21)19(13-9-5-3-6-10-13)18(23)20(17(15)22)14-11-7-4-8-12-14/h3,5-6,9-10,14-15H,2,4,7-8,11-12H2,1H3
InChIKey
VHGLHDSRPPOBQD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 176.5
[M+Na]+ 337.15228 189.1
[M+NH4]+ 332.19688 183.1
[M+K]+ 353.12622 182.0
[M-H]- 313.15578 180.6
[M+Na-2H]- 335.13773 182.2
[M]+ 314.16251 179.2
[M]- 314.16361 179.2
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.