CID 484359

5-bromo-1-[(2s)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H9BrN2O4
SMILES
C1C(=C[C@H](O1)N2C=C(C(=O)NC2=O)Br)CO
InChI
InChI=1S/C9H9BrN2O4/c10-6-2-12(9(15)11-8(6)14)7-1-5(3-13)4-16-7/h1-2,7,13H,3-4H2,(H,11,14,15)/t7-/m0/s1
InChIKey
RWXFRQPBJSSESR-ZETCQYMHSA-N
Compound name
5-bromo-1-[(2S)-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

287.97458 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98186 150.3
[M+Na]+ 310.96380 163.5
[M-H]- 286.96730 156.1
[M+NH4]+ 306.00840 166.6
[M+K]+ 326.93774 152.7
[M+H-H2O]+ 270.97184 149.5
[M+HCOO]- 332.97278 168.0
[M+CH3COO]- 346.98843 189.4
[M+Na-2H]- 308.94925 155.4
[M]+ 287.97403 169.4
[M]- 287.97513 169.4
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.