CID 120657

Barbituric acid, 5-ethyl-5-(p-fluorophenyl)-

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O3/c1-2-12(7-3-5-8(13)6-4-7)9(16)14-11(18)15-10(12)17/h3-6H,2H2,1H3,(H2,14,15,16,17,18)
InChIKey
YLIOCISFAXOPFX-UHFFFAOYSA-N
Compound name
5-ethyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.07536 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 156.7
[M+Na]+ 273.06458 167.9
[M+NH4]+ 268.10918 163.1
[M+K]+ 289.03852 160.9
[M-H]- 249.06808 155.9
[M+Na-2H]- 271.05003 162.1
[M]+ 250.07481 157.8
[M]- 250.07591 157.8
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