CID 208332

32000-78-5

Structural Information

Molecular Formula
C13H13BrN2O2
SMILES
CC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C)Br)C
InChI
InChI=1S/C13H13BrN2O2/c1-8-4-6-10(7-5-8)16-9(2)11(14)12(17)15(3)13(16)18/h4-7H,1-3H3
InChIKey
KZSZRSPEBDTLJI-UHFFFAOYSA-N
Compound name
5-bromo-3,6-dimethyl-1-(4-methylphenyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.01605 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02333 158.2
[M+Na]+ 331.00527 165.0
[M+NH4]+ 326.04987 161.9
[M+K]+ 346.97921 164.2
[M-H]- 307.00877 159.7
[M+Na-2H]- 328.99072 163.0
[M]+ 308.01550 158.5
[M]- 308.01660 158.5
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.