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]+ 305.149576 169.3
[M+Na]+ 327.131518 177.7
[M-H]- 303.135024 172.1
[M+NH4]+ 322.176123 183.2
[M+K]+ 343.105458 173.8
[M+H-H2O]+ 287.139560 161.4
[M+HCOO]- 349.140501 185.9
[M+CH3COO]- 363.156151 203.4
[M+Na-2H]- 325.116966 171.0
[M]+ 304.14175142 170.1
[M]- 304.14284858 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.