CID 262404

56504-53-1

Structural Information

Molecular Formula
C11H7BrN2O3
SMILES
C1=CC(=CC(=C1)Br)C=C2C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H7BrN2O3/c12-7-3-1-2-6(4-7)5-8-9(15)13-11(17)14-10(8)16/h1-5H,(H2,13,14,15,16,17)
InChIKey
VRLYMEBBBXWLQN-UHFFFAOYSA-N
Compound name
5-[(3-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

293.964 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97128 156.6
[M+Na]+ 316.95322 159.4
[M+NH4]+ 311.99782 158.8
[M+K]+ 332.92716 160.0
[M-H]- 292.95672 155.7
[M+Na-2H]- 314.93867 158.2
[M]+ 293.96345 155.2
[M]- 293.96455 155.2
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

patents stripe