CID 214000

Barbituric acid, 1,3-bis((benzyloxy)methyl)-5-ethyl-5-phenyl-

Structural Information

Molecular Formula
C28H28N2O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28N2O5/c1-2-28(24-16-10-5-11-17-24)25(31)29(20-34-18-22-12-6-3-7-13-22)27(33)30(26(28)32)21-35-19-23-14-8-4-9-15-23/h3-17H,2,18-21H2,1H3
InChIKey
LYRWPJUXLWZCMW-UHFFFAOYSA-N
Compound name
5-ethyl-5-phenyl-1,3-bis(phenylmethoxymethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

472.19983 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.20711 217.0
[M+Na]+ 495.18905 232.2
[M+NH4]+ 490.23365 223.4
[M+K]+ 511.16299 221.2
[M-H]- 471.19255 223.1
[M+Na-2H]- 493.17450 227.4
[M]+ 472.19928 221.0
[M]- 472.20038 221.0
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

patents stripe