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 149.9
[M+Na]+ 253.09589 157.4
[M-H]- 229.09939 146.4
[M+NH4]+ 248.14049 166.0
[M+K]+ 269.06983 153.6
[M+H-H2O]+ 213.10393 143.2
[M+HCOO]- 275.10487 164.3
[M+CH3COO]- 289.12052 185.1
[M+Na-2H]- 251.08134 152.3
[M]+ 230.10612 145.8
[M]- 230.10722 145.8
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