CID 3008898

1-[(2r,5r)-5-(hydroxymethyl)-5-prop-1-ynyl-2h-furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H14N2O4
SMILES
CC#C[C@]1(C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C)CO
InChI
InChI=1S/C13H14N2O4/c1-3-5-13(8-16)6-4-10(19-13)15-7-9(2)11(17)14-12(15)18/h4,6-7,10,16H,8H2,1-2H3,(H,14,17,18)/t10-,13+/m1/s1
InChIKey
WKADEDXMIJQRAS-MFKMUULPSA-N
Compound name
1-[(2R,5R)-5-(hydroxymethyl)-5-prop-1-ynyl-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.09537 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 155.0
[M+Na]+ 285.08459 167.3
[M-H]- 261.08809 155.7
[M+NH4]+ 280.12919 168.5
[M+K]+ 301.05853 162.0
[M+H-H2O]+ 245.09263 141.9
[M+HCOO]- 307.09357 168.1
[M+CH3COO]- 321.10922 195.9
[M+Na-2H]- 283.07004 157.3
[M]+ 262.09482 150.7
[M]- 262.09592 150.7
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.