CID 5276659

1-benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H9BrN2O2
SMILES
C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C11H9BrN2O2/c12-9-7-14(11(16)13-10(9)15)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,15,16)
InChIKey
NYNOBRTYKCVRJN-UHFFFAOYSA-N
Compound name
1-benzyl-5-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

242
Patents

279.98474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99202 147.9
[M+Na]+ 302.97396 161.2
[M-H]- 278.97746 154.0
[M+NH4]+ 298.01856 164.6
[M+K]+ 318.94790 148.4
[M+H-H2O]+ 262.98200 146.6
[M+HCOO]- 324.98294 167.6
[M+CH3COO]- 338.99859 191.8
[M+Na-2H]- 300.95941 156.1
[M]+ 279.98419 166.5
[M]- 279.98529 166.5
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.