CID 66310194

5-bromo-3-(2-oxopropyl)-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
CC(=O)CN1C=NC=C(C1=O)Br
InChI
InChI=1S/C7H7BrN2O2/c1-5(11)3-10-4-9-2-6(8)7(10)12/h2,4H,3H2,1H3
InChIKey
APVFXHLNGXJDIE-UHFFFAOYSA-N
Compound name
5-bromo-3-(2-oxopropyl)pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 133.9
[M+Na]+ 252.958308 147.3
[M-H]- 228.961814 138.3
[M+NH4]+ 248.002913 153.4
[M+K]+ 268.932248 136.8
[M+H-H2O]+ 212.966350 133.3
[M+HCOO]- 274.967291 154.0
[M+CH3COO]- 288.982941 186.5
[M+Na-2H]- 250.943756 142.0
[M]+ 229.96854142 154.3
[M]- 229.96963858 154.3
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

No patent data available for this compound.