CID 84757

2,4(1h,3h)-pyrimidinedione, 5-bromo-6-methyl-

Structural Information

Molecular Formula
C5H5BrN2O2
SMILES
CC1=C(C(=O)NC(=O)N1)Br
InChI
InChI=1S/C5H5BrN2O2/c1-2-3(6)4(9)8-5(10)7-2/h1H3,(H2,7,8,9,10)
InChIKey
HEAXNUZNYDEXFG-UHFFFAOYSA-N
Compound name
5-bromo-6-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

203.95345 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96073 127.1
[M+Na]+ 226.94267 141.5
[M-H]- 202.94617 129.4
[M+NH4]+ 221.98727 146.5
[M+K]+ 242.91661 129.1
[M+H-H2O]+ 186.95071 127.3
[M+HCOO]- 248.95165 145.9
[M+CH3COO]- 262.96730 176.4
[M+Na-2H]- 224.92812 135.5
[M]+ 203.95290 144.2
[M]- 203.95400 144.2
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

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