CID 473621

Chembl166764

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C=C1[C@H](CO[C@H]1CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C10H12N2O4/c1-6-7(5-16-8(6)4-13)12-3-2-9(14)11-10(12)15/h2-3,7-8,13H,1,4-5H2,(H,11,14,15)/t7-,8-/m0/s1
InChIKey
NXQKQPQRZJFCAF-YUMQZZPRSA-N
Compound name
1-[(3R,5R)-5-(hydroxymethyl)-4-methylideneoxolan-3-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

224.07971 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 145.9
[M+Na]+ 247.068928 155.6
[M-H]- 223.072434 148.8
[M+NH4]+ 242.113533 160.9
[M+K]+ 263.042868 152.4
[M+H-H2O]+ 207.076970 139.1
[M+HCOO]- 269.077911 164.3
[M+CH3COO]- 283.093561 182.0
[M+Na-2H]- 245.054376 148.5
[M]+ 224.07916142 144.7
[M]- 224.08025858 144.7
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.