CID 208329

32000-72-9

Structural Information

Molecular Formula
C14H13BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1CC=C)C2=CC=CC=C2)Br
InChI
InChI=1S/C14H13BrN2O2/c1-3-9-16-10(2)12(15)13(18)17(14(16)19)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3
InChIKey
XDDCZCNSNJJQDF-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-3-phenyl-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01605 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.023326 158.3
[M+Na]+ 343.005268 172.7
[M-H]- 319.008774 165.9
[M+NH4]+ 338.049873 174.6
[M+K]+ 358.979208 159.6
[M+H-H2O]+ 303.013310 156.5
[M+HCOO]- 365.014251 178.5
[M+CH3COO]- 379.029901 204.0
[M+Na-2H]- 340.990716 164.0
[M]+ 320.01550142 179.6
[M]- 320.01659858 179.6
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.