CID 48428

Barbituric acid, 5,5-diethyl-1-(3,4-dimethoxyphenethyl)-

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CCC2=CC(=C(C=C2)OC)OC)CC
InChI
InChI=1S/C18H24N2O5/c1-5-18(6-2)15(21)19-17(23)20(16(18)22)10-9-12-7-8-13(24-3)14(11-12)25-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,19,21,23)
InChIKey
FFORYDPOJICHOR-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.175796 180.0
[M+Na]+ 371.157738 188.1
[M-H]- 347.161244 182.7
[M+NH4]+ 366.202343 192.2
[M+K]+ 387.131678 184.5
[M+H-H2O]+ 331.165780 171.8
[M+HCOO]- 393.166721 196.0
[M+CH3COO]- 407.182371 213.0
[M+Na-2H]- 369.143186 180.2
[M]+ 348.16797142 183.3
[M]- 348.16906858 183.3
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.