CID 12941

5-butyl-1,3-dicyclohexylbarbituric acid

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C20H32N2O3/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/h15-17H,2-14H2,1H3
InChIKey
KEZCZZBMMHJFMN-UHFFFAOYSA-N
Compound name
5-butyl-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.2413 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.24858 189.4
[M+Na]+ 371.23052 198.7
[M+NH4]+ 366.27512 195.4
[M+K]+ 387.20446 191.7
[M-H]- 347.23402 192.7
[M+Na-2H]- 369.21597 191.8
[M]+ 348.24075 191.2
[M]- 348.24185 191.2
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.