CID 10780244

5-(3-methoxypropynyl)-durd

Structural Information

Molecular Formula
C13H16N2O6
SMILES
COCC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C13H16N2O6/c1-20-4-2-3-8-6-15(13(19)14-12(8)18)11-5-9(17)10(7-16)21-11/h6,9-11,16-17H,4-5,7H2,1H3,(H,14,18,19)/t9-,10+,11+/m0/s1
InChIKey
GFTJBRNJKBKKSE-HBNTYKKESA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-methoxyprop-1-ynyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.10083 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10811 161.3
[M+Na]+ 319.09005 171.4
[M-H]- 295.09355 160.4
[M+NH4]+ 314.13465 171.0
[M+K]+ 335.06399 167.4
[M+H-H2O]+ 279.09809 147.6
[M+HCOO]- 341.09903 172.0
[M+CH3COO]- 355.11468 199.5
[M+Na-2H]- 317.07550 160.8
[M]+ 296.10028 156.5
[M]- 296.10138 156.5
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.