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]+ 333.180876 179.7
[M+Na]+ 355.162818 184.8
[M-H]- 331.166324 179.9
[M+NH4]+ 350.207423 191.0
[M+K]+ 371.136758 179.5
[M+H-H2O]+ 315.170860 170.9
[M+HCOO]- 377.171801 194.0
[M+CH3COO]- 391.187451 204.5
[M+Na-2H]- 353.148266 181.1
[M]+ 332.17305142 178.3
[M]- 332.17414858 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.