CID 23713

7286-76-2

Structural Information

Molecular Formula
C9H13BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Br
InChI
InChI=1S/C9H13BrN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
InChIKey
BSWOMKORDXSSKG-UHFFFAOYSA-N
Compound name
5-bromo-3-tert-butyl-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

608
Patents

260.01605 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.02333 144.9
[M+Na]+ 283.00527 159.4
[M-H]- 259.00877 148.7
[M+NH4]+ 278.04987 163.4
[M+K]+ 298.97921 147.5
[M+H-H2O]+ 243.01331 145.0
[M+HCOO]- 305.01425 162.3
[M+CH3COO]- 319.02990 191.0
[M+Na-2H]- 280.99072 151.8
[M]+ 260.01550 164.9
[M]- 260.01660 164.9
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

patents stripe