CID 15956351

[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-[(4r)-4-hydroxy-2,4-dimethyl-tetrahydrofuran-2-yl]acetate

Structural Information

Molecular Formula
C18H26N2O8
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@@](CO3)(C)O)C)O
InChI
InChI=1S/C18H26N2O8/c1-10-6-20(16(24)19-15(10)23)13-4-11(21)12(28-13)7-26-14(22)5-18(3)8-17(2,25)9-27-18/h6,11-13,21,25H,4-5,7-9H2,1-3H3,(H,19,23,24)/t11-,12+,13+,17+,18?/m0/s1
InChIKey
JGIDDHJWTODUGE-FCGMKTCUSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4R)-4-hydroxy-2,4-dimethyloxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1689 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.17618 184.4
[M+Na]+ 421.15812 191.6
[M-H]- 397.16162 190.0
[M+NH4]+ 416.20272 195.7
[M+K]+ 437.13206 191.2
[M+H-H2O]+ 381.16616 179.7
[M+HCOO]- 443.16710 196.6
[M+CH3COO]- 457.18275 212.9
[M+Na-2H]- 419.14357 183.1
[M]+ 398.16835 187.4
[M]- 398.16945 187.4
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.