CID 9575003

1-(4-hydroxyimino-5-hydroxymethyltetrahydrofuran-2-yl)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H11N3O5
SMILES
C\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C9H11N3O5/c13-4-6-5(11-16)3-8(17-6)12-2-1-7(14)10-9(12)15/h1-2,6,8,13,16H,3-4H2,(H,10,14,15)/b11-5-/t6-,8-/m1/s1
InChIKey
CZOKWXBFGHESKZ-FJNVFZQQSA-N
Compound name
1-[(2R,4Z,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.06987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07715 148.3
[M+Na]+ 264.05909 157.2
[M-H]- 240.06259 151.3
[M+NH4]+ 259.10369 162.0
[M+K]+ 280.03303 154.8
[M+H-H2O]+ 224.06713 140.8
[M+HCOO]- 286.06807 168.1
[M+CH3COO]- 300.08372 186.0
[M+Na-2H]- 262.04454 152.0
[M]+ 241.06932 147.3
[M]- 241.07042 147.3
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.