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 179.7
[M+Na]+ 355.16282 184.8
[M-H]- 331.16632 179.9
[M+NH4]+ 350.20742 191.0
[M+K]+ 371.13676 179.5
[M+H-H2O]+ 315.17086 170.9
[M+HCOO]- 377.17180 194.0
[M+CH3COO]- 391.18745 204.5
[M+Na-2H]- 353.14827 181.1
[M]+ 332.17305 178.3
[M]- 332.17415 178.3
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.