CID 5274108

1-[(2r,5s)-3-chloro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H9ClN2O4
SMILES
C1=CN(C(=O)NC1=O)[C@H]2C(=C[C@H](O2)CO)Cl
InChI
InChI=1S/C9H9ClN2O4/c10-6-3-5(4-13)16-8(6)12-2-1-7(14)11-9(12)15/h1-3,5,8,13H,4H2,(H,11,14,15)/t5-,8+/m0/s1
InChIKey
KCWUVVOXZBHHIA-YLWLKBPMSA-N
Compound name
1-[(2R,5S)-3-chloro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.02509 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03237 147.1
[M+Na]+ 267.01431 158.5
[M-H]- 243.01781 150.2
[M+NH4]+ 262.05891 162.1
[M+K]+ 282.98825 154.3
[M+H-H2O]+ 227.02235 140.7
[M+HCOO]- 289.02329 162.3
[M+CH3COO]- 303.03894 183.2
[M+Na-2H]- 264.99976 150.5
[M]+ 244.02454 149.4
[M]- 244.02564 149.4
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.