CID 12922

1,3-dicyclohexyl-5-methylbarbituric acid

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CC1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C17H26N2O3/c1-12-15(20)18(13-8-4-2-5-9-13)17(22)19(16(12)21)14-10-6-3-7-11-14/h12-14H,2-11H2,1H3
InChIKey
ILCHAUPJKKIXPX-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.19434 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 176.5
[M+Na]+ 329.18356 186.5
[M+NH4]+ 324.22816 183.1
[M+K]+ 345.15750 180.2
[M-H]- 305.18706 180.0
[M+Na-2H]- 327.16901 179.7
[M]+ 306.19379 178.5
[M]- 306.19489 178.5
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

patents stripe