CID 208331

Brn 0804871

Structural Information

Molecular Formula
C14H13BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)CC=C)Br
InChI
InChI=1S/C14H13BrN2O2/c1-3-9-16-13(18)12(15)10(2)17(14(16)19)11-7-5-4-6-8-11/h3-8H,1,9H2,2H3
InChIKey
UOOLSLRPFLXQDP-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-1-phenyl-3-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]+ 321.02333 158.3
[M+Na]+ 343.00527 172.7
[M-H]- 319.00877 165.9
[M+NH4]+ 338.04987 174.6
[M+K]+ 358.97921 159.6
[M+H-H2O]+ 303.01331 156.5
[M+HCOO]- 365.01425 178.5
[M+CH3COO]- 379.02990 204.0
[M+Na-2H]- 340.99072 164.0
[M]+ 320.01550 179.6
[M]- 320.01660 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

literature stripe

Patent stripe

No patent data available for this compound.