CID 48755

Barbituric acid, 5-ethyl-5-isobutyl-1-phenyl-

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)CC(C)C
InChI
InChI=1S/C16H20N2O3/c1-4-16(10-11(2)3)13(19)17-15(21)18(14(16)20)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,21)
InChIKey
DEOFIMJTRLPMTC-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-methylpropyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 166.7
[M+Na]+ 311.136618 174.0
[M-H]- 287.140124 169.2
[M+NH4]+ 306.181223 181.0
[M+K]+ 327.110558 169.9
[M+H-H2O]+ 271.144660 158.9
[M+HCOO]- 333.145601 182.1
[M+CH3COO]- 347.161251 200.8
[M+Na-2H]- 309.122066 167.7
[M]+ 288.14685142 164.9
[M]- 288.14794858 164.9
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.