CID 26109

Barbituric acid, 5-butyl-5-phenyl-

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-2-3-9-14(10-7-5-4-6-8-10)11(17)15-13(19)16-12(14)18/h4-8H,2-3,9H2,1H3,(H2,15,16,17,18,19)
InChIKey
IFHBURLPIXMUQI-UHFFFAOYSA-N
Compound name
5-butyl-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

260.1161 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 161.2
[M+Na]+ 283.10532 172.8
[M+NH4]+ 278.14992 168.2
[M+K]+ 299.07926 165.0
[M-H]- 259.10882 161.9
[M+Na-2H]- 281.09077 167.2
[M]+ 260.11555 162.8
[M]- 260.11665 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe