CID 13935

1-cyclohexyl-5-isobutylbarbituric acid

Structural Information

Molecular Formula
C14H22N2O3
SMILES
CC(C)CC1C(=O)NC(=O)N(C1=O)C2CCCCC2
InChI
InChI=1S/C14H22N2O3/c1-9(2)8-11-12(17)15-14(19)16(13(11)18)10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3,(H,15,17,19)
InChIKey
GSMDVEZEEBVYSG-UHFFFAOYSA-N
Compound name
1-cyclohexyl-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.16306 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17034 164.3
[M+Na]+ 289.15228 168.5
[M-H]- 265.15578 165.7
[M+NH4]+ 284.19688 177.2
[M+K]+ 305.12622 165.1
[M+H-H2O]+ 249.16032 156.2
[M+HCOO]- 311.16126 175.9
[M+CH3COO]- 325.17691 196.6
[M+Na-2H]- 287.13773 162.0
[M]+ 266.16251 157.2
[M]- 266.16361 157.2
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.