CID 24188

Barbituric acid, 5-allyl-5-(2-bromopropyl)-

Structural Information

Molecular Formula
C10H13BrN2O3
SMILES
CC(CC1(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/h3,6H,1,4-5H2,2H3,(H2,12,13,14,15,16)
InChIKey
BAKVDLKQRKBRFZ-UHFFFAOYSA-N
Compound name
5-(2-bromopropyl)-5-prop-2-enyl-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.018236 151.4
[M+Na]+ 311.000178 161.8
[M-H]- 287.003684 152.2
[M+NH4]+ 306.044783 168.8
[M+K]+ 326.974118 149.1
[M+H-H2O]+ 271.008220 151.8
[M+HCOO]- 333.009161 164.1
[M+CH3COO]- 347.024811 192.4
[M+Na-2H]- 308.985626 154.8
[M]+ 288.01041142 166.1
[M]- 288.01150858 166.1
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.