CID 208336

Brn 0888415

Structural Information

Molecular Formula
C12H17BrN2O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2CCCCC2)C)Br
InChI
InChI=1S/C12H17BrN2O2/c1-8-10(13)11(16)14(2)12(17)15(8)9-6-4-3-5-7-9/h9H,3-7H2,1-2H3
InChIKey
AUVDXWGCMGMKRM-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclohexyl-3,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.04733 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05461 158.5
[M+Na]+ 323.03655 162.7
[M+NH4]+ 318.08115 162.2
[M+K]+ 339.01049 162.5
[M-H]- 299.04005 159.4
[M+Na-2H]- 321.02200 161.3
[M]+ 300.04678 158.1
[M]- 300.04788 158.1
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.