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]+ 225.08699 145.9
[M+Na]+ 247.06893 155.6
[M-H]- 223.07243 148.8
[M+NH4]+ 242.11353 160.9
[M+K]+ 263.04287 152.4
[M+H-H2O]+ 207.07697 139.1
[M+HCOO]- 269.07791 164.3
[M+CH3COO]- 283.09356 182.0
[M+Na-2H]- 245.05438 148.5
[M]+ 224.07916 144.7
[M]- 224.08026 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.