CID 11703227

1-[(2r,3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-5-[(e)-styryl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H20N2O6
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C3=CC=CC=C3)CO)O
InChI
InChI=1S/C18H20N2O6/c1-25-15-14(22)13(10-21)26-17(15)20-9-12(16(23)19-18(20)24)8-7-11-5-3-2-4-6-11/h2-9,13-15,17,21-22H,10H2,1H3,(H,19,23,24)/b8-7+/t13-,14-,15-,17-/m1/s1
InChIKey
DWUWFLLXPOMCPE-ABSFSFRQSA-N
Compound name
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-[(E)-2-phenylethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.13214 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13942 182.4
[M+Na]+ 383.12136 190.5
[M-H]- 359.12486 187.2
[M+NH4]+ 378.16596 190.8
[M+K]+ 399.09530 185.9
[M+H-H2O]+ 343.12940 173.6
[M+HCOO]- 405.13034 198.1
[M+CH3COO]- 419.14599 206.8
[M+Na-2H]- 381.10681 181.3
[M]+ 360.13159 183.1
[M]- 360.13269 183.1
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.