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]+ 237.086986 147.7
[M+Na]+ 259.068928 159.4
[M-H]- 235.072434 148.2
[M+NH4]+ 254.113533 160.3
[M+K]+ 275.042868 155.1
[M+H-H2O]+ 219.076970 134.4
[M+HCOO]- 281.077911 160.0
[M+CH3COO]- 295.093561 193.1
[M+Na-2H]- 257.054376 148.2
[M]+ 236.07916142 141.5
[M]- 236.08025858 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.