CID 145999207

3-[(3r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-prop-2-ynoxy-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C13H15NO7
SMILES
C#CCOC1=CC(C(=O)NC1=O)C2[C@@H](C(C(O2)CO)O)O
InChI
InChI=1S/C13H15NO7/c1-2-3-20-7-4-6(12(18)14-13(7)19)11-10(17)9(16)8(5-15)21-11/h1,4,6,8-11,15-17H,3,5H2,(H,14,18,19)/t6?,8?,9?,10-,11?/m1/s1
InChIKey
AXGVFRHDQAZAQD-SYYGJADCSA-N
Compound name
3-[(3R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-ynoxy-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.08484 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.09212 161.2
[M+Na]+ 320.07406 170.1
[M-H]- 296.07756 160.5
[M+NH4]+ 315.11866 171.5
[M+K]+ 336.04800 166.2
[M+H-H2O]+ 280.08210 149.4
[M+HCOO]- 342.08304 169.6
[M+CH3COO]- 356.09869 200.3
[M+Na-2H]- 318.05951 158.9
[M]+ 297.08429 154.1
[M]- 297.08539 154.1
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.