CID 215155

Barbituric acid, 1-(alpha-methylphenethyl)-

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(CC1=CC=CC=C1)N2C(=O)CC(=O)NC2=O
InChI
InChI=1S/C13H14N2O3/c1-9(7-10-5-3-2-4-6-10)15-12(17)8-11(16)14-13(15)18/h2-6,9H,7-8H2,1H3,(H,14,16,18)
InChIKey
FFACIFVJLCNHFA-UHFFFAOYSA-N
Compound name
1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.107726 155.0
[M+Na]+ 269.089668 161.8
[M-H]- 245.093174 157.4
[M+NH4]+ 264.134273 168.6
[M+K]+ 285.063608 157.9
[M+H-H2O]+ 229.097710 146.7
[M+HCOO]- 291.098651 171.4
[M+CH3COO]- 305.114301 191.0
[M+Na-2H]- 267.075116 157.0
[M]+ 246.09990142 151.4
[M]- 246.10099858 151.4
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

No patent data available for this compound.