CID 3011925

1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-pent-1-en-3-ynyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H14N2O5
SMILES
CC#CC=C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C13H14N2O5/c1-2-3-4-5-8-10(17)11(18)12(20-8)15-7-6-9(16)14-13(15)19/h4-8,10-12,17-18H,1H3,(H,14,16,19)/t8-,10-,11-,12-/m1/s1
InChIKey
CRMGQGPWMCVYON-HJQYOEGKSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-pent-1-en-3-ynyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.09027 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09755 160.2
[M+Na]+ 301.07949 170.8
[M-H]- 277.08299 159.3
[M+NH4]+ 296.12409 170.5
[M+K]+ 317.05343 165.5
[M+H-H2O]+ 261.08753 146.7
[M+HCOO]- 323.08847 170.8
[M+CH3COO]- 337.10412 196.7
[M+Na-2H]- 299.06494 159.2
[M]+ 278.08972 153.4
[M]- 278.09082 153.4
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.