CID 56313

Brn 0544892

Structural Information

Molecular Formula
C13H11BrN2O3
SMILES
C=CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O3/c1-2-7-13(8-3-5-9(14)6-4-8)10(17)15-12(19)16-11(13)18/h2-6H,1,7H2,(H2,15,16,17,18,19)
InChIKey
AYVQUWQZFPQYIL-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-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

321.9953 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00258 165.6
[M+Na]+ 344.98452 168.0
[M+NH4]+ 340.02912 168.7
[M+K]+ 360.95846 166.8
[M-H]- 320.98802 164.6
[M+Na-2H]- 342.96997 168.0
[M]+ 321.99475 164.3
[M]- 321.99585 164.3
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.