CID 16075064

5-(2-bromovinyl)-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13BrN2O5
SMILES
C1=C(C(=O)NC(=O)N1COC(CO)CO)C=CBr
InChI
InChI=1S/C10H13BrN2O5/c11-2-1-7-3-13(10(17)12-9(7)16)6-18-8(4-14)5-15/h1-3,8,14-15H,4-6H2,(H,12,16,17)
InChIKey
KGQSAAPALZYEFC-UHFFFAOYSA-N
Compound name
5-(2-bromoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.0008 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00808 155.8
[M+Na]+ 342.99002 166.8
[M-H]- 318.99352 155.8
[M+NH4]+ 338.03462 169.5
[M+K]+ 358.96396 154.1
[M+H-H2O]+ 302.99806 154.3
[M+HCOO]- 364.99900 171.1
[M+CH3COO]- 379.01465 194.0
[M+Na-2H]- 340.97547 160.0
[M]+ 320.00025 175.2
[M]- 320.00135 175.2
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

No patent data available for this compound.