CID 49169

Barbituric acid, 5-(2-butoxyethyl)-5-phenethyl-, sodium salt

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CCCCOCCC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O4/c1-2-3-12-24-13-11-18(10-9-14-7-5-4-6-8-14)15(21)19-17(23)20-16(18)22/h4-8H,2-3,9-13H2,1H3,(H2,19,20,21,22,23)
InChIKey
SWKNGFVEIKSUBS-UHFFFAOYSA-N
Compound name
5-(2-butoxyethyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 181.5
[M+Na]+ 355.16282 191.7
[M+NH4]+ 350.20742 187.1
[M+K]+ 371.13676 183.5
[M-H]- 331.16632 181.4
[M+Na-2H]- 353.14827 186.0
[M]+ 332.17305 182.6
[M]- 332.17415 182.6
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.

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No patent data available for this compound.