CID 3703444

5-bromo-6-ethoxy-5-methyl-dihydro-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C7H11BrN2O3
SMILES
CCOC1C(C(=O)NC(=O)N1)(C)Br
InChI
InChI=1S/C7H11BrN2O3/c1-3-13-5-7(2,8)4(11)9-6(12)10-5/h5H,3H2,1-2H3,(H2,9,10,11,12)
InChIKey
REDLIYNRQBSZJD-UHFFFAOYSA-N
Compound name
5-bromo-6-ethoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9953 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.00258 141.6
[M+Na]+ 272.98452 152.9
[M-H]- 248.98802 142.8
[M+NH4]+ 268.02912 160.7
[M+K]+ 288.95846 141.6
[M+H-H2O]+ 232.99256 142.3
[M+HCOO]- 294.99350 155.8
[M+CH3COO]- 309.00915 184.6
[M+Na-2H]- 270.96997 147.5
[M]+ 249.99475 157.2
[M]- 249.99585 157.2
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.