CID 135401400

5,5-diethyl-4-phenyliminobarbituric acid

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCC1(C(=NC2=CC=CC=C2)NC(=O)NC1=O)CC
InChI
InChI=1S/C14H17N3O2/c1-3-14(4-2)11(16-13(19)17-12(14)18)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKey
MVCORKZDRDCYQB-UHFFFAOYSA-N
Compound name
5,5-diethyl-6-phenylimino-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 160.3
[M+Na]+ 282.121298 167.2
[M-H]- 258.124804 162.7
[M+NH4]+ 277.165903 175.4
[M+K]+ 298.095238 162.3
[M+H-H2O]+ 242.129340 152.2
[M+HCOO]- 304.130281 178.3
[M+CH3COO]- 318.145931 194.9
[M+Na-2H]- 280.106746 164.5
[M]+ 259.13153142 155.8
[M]- 259.13262858 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.