CID 90116161

6-bromo-1,5-dimethylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
CC1=C(N(C(=O)NC1=O)C)Br
InChI
InChI=1S/C6H7BrN2O2/c1-3-4(7)9(2)6(11)8-5(3)10/h1-2H3,(H,8,10,11)
InChIKey
LQXGGFUWLLKMFI-UHFFFAOYSA-N
Compound name
6-bromo-1,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

217.96909 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.976366 129.7
[M+Na]+ 240.958308 145.0
[M-H]- 216.961814 133.6
[M+NH4]+ 236.002913 149.6
[M+K]+ 256.932248 133.3
[M+H-H2O]+ 200.966350 129.8
[M+HCOO]- 262.967291 149.6
[M+CH3COO]- 276.982941 182.8
[M+Na-2H]- 238.943756 137.5
[M]+ 217.96854142 149.3
[M]- 217.96963858 149.3
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

patents stripe