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]+ 230.97637 133.9
[M+Na]+ 252.95831 147.3
[M-H]- 228.96181 138.3
[M+NH4]+ 248.00291 153.4
[M+K]+ 268.93225 136.8
[M+H-H2O]+ 212.96635 133.3
[M+HCOO]- 274.96729 154.0
[M+CH3COO]- 288.98294 186.5
[M+Na-2H]- 250.94376 142.0
[M]+ 229.96854 154.3
[M]- 229.96964 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.