CID 3007847

Chembl289100

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C#C)O
InChI
InChI=1S/C11H12N2O4/c1-3-8-7(14)4-9(17-8)13-5-6(2)10(15)12-11(13)16/h1,5,7-9,14H,4H2,2H3,(H,12,15,16)/t7-,8+,9+/m0/s1
InChIKey
ZNNAPEIPLZMQPU-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-5-ethynyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.07971 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 147.7
[M+Na]+ 259.06893 159.4
[M-H]- 235.07243 148.2
[M+NH4]+ 254.11353 160.3
[M+K]+ 275.04287 155.1
[M+H-H2O]+ 219.07697 134.4
[M+HCOO]- 281.07791 160.0
[M+CH3COO]- 295.09356 193.1
[M+Na-2H]- 257.05438 148.2
[M]+ 236.07916 141.5
[M]- 236.08026 141.5
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.