CID 71076

Barbituric acid, 5-ethyl-5-(4-fluorobutyl)-

Structural Information

Molecular Formula
C10H15FN2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCCF
InChI
InChI=1S/C10H15FN2O3/c1-2-10(5-3-4-6-11)7(14)12-9(16)13-8(10)15/h2-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
SLNRFZZUJDZDPT-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-fluorobutyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.10667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11395 153.7
[M+Na]+ 253.09589 162.0
[M+NH4]+ 248.14049 159.1
[M+K]+ 269.06983 155.6
[M-H]- 229.09939 150.0
[M+Na-2H]- 251.08134 155.6
[M]+ 230.10612 153.3
[M]- 230.10722 153.3
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