CID 48585

Barbituric acid, 5-(2-benzyloxyethyl)-5-ethyl-, sodium salt

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCOCC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O4/c1-2-15(12(18)16-14(20)17-13(15)19)8-9-21-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19,20)
InChIKey
BMAPMADEWLNDRP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-phenylmethoxyethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 168.5
[M+Na]+ 313.11587 179.3
[M+NH4]+ 308.16047 174.6
[M+K]+ 329.08981 171.8
[M-H]- 289.11937 168.6
[M+Na-2H]- 311.10132 173.8
[M]+ 290.12610 169.8
[M]- 290.12720 169.8
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.