CID 135744229

2-((3-chlorophenyl)imino)-5,5-diethylbarbituric acid

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
CCC1(C(=O)NC(=NC2=CC(=CC=C2)Cl)NC1=O)CC
InChI
InChI=1S/C14H16ClN3O2/c1-3-14(4-2)11(19)17-13(18-12(14)20)16-10-7-5-6-9(15)8-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKey
MPXDNMSXEHGCDF-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)imino-5,5-diethyl-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0931 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10038 165.8
[M+Na]+ 316.08232 178.3
[M+NH4]+ 311.12692 173.5
[M+K]+ 332.05626 169.5
[M-H]- 292.08582 167.8
[M+Na-2H]- 314.06777 172.6
[M]+ 293.09255 168.3
[M]- 293.09365 168.3
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.