CID 56271

Barbituric acid, 5-(p-bromophenyl)-5-ethyl-

Structural Information

Molecular Formula
C12H11BrN2O3
SMILES
CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H11BrN2O3/c1-2-12(7-3-5-8(13)6-4-7)9(16)14-11(18)15-10(12)17/h3-6H,2H2,1H3,(H2,14,15,16,17,18)
InChIKey
SGLCADNTJHVTRA-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.9953 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00258 156.8
[M+Na]+ 332.98452 168.2
[M-H]- 308.98802 161.1
[M+NH4]+ 328.02912 173.4
[M+K]+ 348.95846 155.3
[M+H-H2O]+ 292.99256 156.3
[M+HCOO]- 354.99350 171.0
[M+CH3COO]- 369.00915 195.2
[M+Na-2H]- 330.96997 161.8
[M]+ 309.99475 171.6
[M]- 309.99585 171.6
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.