CID 15956345

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

Structural Information

Molecular Formula
C20H30N2O8S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CC3(C[C@](CO3)(C)OCSC)C)O
InChI
InChI=1S/C20H30N2O8S/c1-12-7-22(18(26)21-17(12)25)15-5-13(23)14(30-15)8-27-16(24)6-19(2)9-20(3,10-28-19)29-11-31-4/h7,13-15,23H,5-6,8-11H2,1-4H3,(H,21,25,26)/t13-,14+,15+,19?,20-/m0/s1
InChIKey
JMJJRFDOIPGEEA-RPEYTIFFSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[(4S)-2,4-dimethyl-4-(methylsulfanylmethoxy)oxolan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1723 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.17958 198.6
[M+Na]+ 481.16152 205.2
[M-H]- 457.16502 204.9
[M+NH4]+ 476.20612 208.8
[M+K]+ 497.13546 204.9
[M+H-H2O]+ 441.16956 194.6
[M+HCOO]- 503.17050 207.3
[M+CH3COO]- 517.18615 223.9
[M+Na-2H]- 479.14697 195.7
[M]+ 458.17175 206.5
[M]- 458.17285 206.5
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.