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]+ 361.139416 182.4
[M+Na]+ 383.121358 190.5
[M-H]- 359.124864 187.2
[M+NH4]+ 378.165963 190.8
[M+K]+ 399.095298 185.9
[M+H-H2O]+ 343.129400 173.6
[M+HCOO]- 405.130341 198.1
[M+CH3COO]- 419.145991 206.8
[M+Na-2H]- 381.106806 181.3
[M]+ 360.13159142 183.1
[M]- 360.13268858 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.