CID 56167

5-(2-bromoallyl)-5-propylbarbituric acid

Structural Information

Molecular Formula
C10H13BrN2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)CC(=C)Br
InChI
InChI=1S/C10H13BrN2O3/c1-3-4-10(5-6(2)11)7(14)12-9(16)13-8(10)15/h2-5H2,1H3,(H2,12,13,14,15,16)
InChIKey
ISWRUGBQYRDOGS-UHFFFAOYSA-N
Compound name
5-(2-bromoprop-2-enyl)-5-propyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.01096 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.01824 158.9
[M+Na]+ 311.00018 158.7
[M+NH4]+ 306.04478 161.2
[M+K]+ 326.97412 159.0
[M-H]- 287.00368 155.2
[M+Na-2H]- 308.98563 158.2
[M]+ 288.01041 156.2
[M]- 288.01151 156.2
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.