CID 28927

Barbituric acid, 5-butyl-1-phenyl-

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCCCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,15,17,19)
InChIKey
FUSQPEGOVZRRBP-UHFFFAOYSA-N
Compound name
5-butyl-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 159.7
[M+Na]+ 283.105318 167.2
[M-H]- 259.108824 162.1
[M+NH4]+ 278.149923 173.1
[M+K]+ 299.079258 162.5
[M+H-H2O]+ 243.113360 151.2
[M+HCOO]- 305.114301 176.7
[M+CH3COO]- 319.129951 194.4
[M+Na-2H]- 281.090766 161.5
[M]+ 260.11555142 157.4
[M]- 260.11664858 157.4
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