CID 48393

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

Structural Information

Molecular Formula
C14H15ClN2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=C(C=C2)Cl)CC
InChI
InChI=1S/C14H15ClN2O3/c1-3-14(4-2)11(18)16-13(20)17(12(14)19)10-7-5-9(15)6-8-10/h5-8H,3-4H2,1-2H3,(H,16,18,20)
InChIKey
ZSTXEPXDPBFCTC-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.07712 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.084396 162.9
[M+Na]+ 317.066338 173.0
[M-H]- 293.069844 166.0
[M+NH4]+ 312.110943 178.3
[M+K]+ 333.040278 167.2
[M+H-H2O]+ 277.074380 156.1
[M+HCOO]- 339.075321 175.5
[M+CH3COO]- 353.090971 198.9
[M+Na-2H]- 315.051786 165.1
[M]+ 294.07657142 163.4
[M]- 294.07766858 163.4
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.