CID 13978

5-butyl-1-cyclohexyl-3-phenylbarbituric acid

Structural Information

Molecular Formula
C20H26N2O3
SMILES
CCCCC1C(=O)N(C(=O)N(C1=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C20H26N2O3/c1-2-3-14-17-18(23)21(15-10-6-4-7-11-15)20(25)22(19(17)24)16-12-8-5-9-13-16/h4,6-7,10-11,16-17H,2-3,5,8-9,12-14H2,1H3
InChIKey
DWBNPGMYLAYNNJ-UHFFFAOYSA-N
Compound name
5-butyl-1-cyclohexyl-3-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.19434 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20162 185.3
[M+Na]+ 365.18356 197.4
[M+NH4]+ 360.22816 191.5
[M+K]+ 381.15750 189.9
[M-H]- 341.18706 189.2
[M+Na-2H]- 363.16901 190.4
[M]+ 342.19379 187.9
[M]- 342.19489 187.9
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.