CID 11573693

Methyl (e)-3-[1-[(2r,3r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enoate

Structural Information

Molecular Formula
C14H18N2O8
SMILES
CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/C(=O)OC)CO)O
InChI
InChI=1S/C14H18N2O8/c1-22-9(18)4-3-7-5-16(14(21)15-12(7)20)13-11(23-2)10(19)8(6-17)24-13/h3-5,8,10-11,13,17,19H,6H2,1-2H3,(H,15,20,21)/b4-3+/t8-,10-,11-,13-/m1/s1
InChIKey
RARJMEHKMQCXKD-BGFIHSBQSA-N
Compound name
methyl (E)-3-[1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10632 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11360 172.5
[M+Na]+ 365.09554 180.7
[M-H]- 341.09904 174.2
[M+NH4]+ 360.14014 181.9
[M+K]+ 381.06948 178.7
[M+H-H2O]+ 325.10358 165.2
[M+HCOO]- 387.10452 187.8
[M+CH3COO]- 401.12017 203.1
[M+Na-2H]- 363.08099 170.9
[M]+ 342.10577 175.9
[M]- 342.10687 175.9
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.