CID 48432

Barbituric acid, 5,5-diethyl-1-(p-ethoxyphenyl)-

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)OCC)CC
InChI
InChI=1S/C16H20N2O4/c1-4-16(5-2)13(19)17-15(21)18(14(16)20)11-7-9-12(10-8-11)22-6-3/h7-10H,4-6H2,1-3H3,(H,17,19,21)
InChIKey
FSZXWKDRYSBFCF-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 169.3
[M+Na]+ 327.13152 177.7
[M-H]- 303.13502 172.1
[M+NH4]+ 322.17612 183.2
[M+K]+ 343.10546 173.8
[M+H-H2O]+ 287.13956 161.4
[M+HCOO]- 349.14050 185.9
[M+CH3COO]- 363.15615 203.4
[M+Na-2H]- 325.11697 171.0
[M]+ 304.14175 170.1
[M]- 304.14285 170.1
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.