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 156.5
[M+Na]+ 323.03655 168.6
[M-H]- 299.04005 163.4
[M+NH4]+ 318.08115 173.5
[M+K]+ 339.01049 157.0
[M+H-H2O]+ 283.04459 155.0
[M+HCOO]- 345.04553 173.1
[M+CH3COO]- 359.06118 200.2
[M+Na-2H]- 321.02200 160.3
[M]+ 300.04678 173.8
[M]- 300.04788 173.8
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.