CID 15956341

[(2s,5r)-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))-2-2,5-dihydrofuryl]methyl 2-[(2s,4s)-2,4-dimethyl-4-(methylthiomethoxy)oxolan-2-yl]acetate

Structural Information

Molecular Formula
C20H28N2O7S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)CC3(C[C@](CO3)(C)OCSC)C
InChI
InChI=1S/C20H28N2O7S/c1-13-8-22(18(25)21-17(13)24)15-6-5-14(29-15)9-26-16(23)7-19(2)10-20(3,11-27-19)28-12-30-4/h5-6,8,14-15H,7,9-12H2,1-4H3,(H,21,24,25)/t14-,15+,19?,20-/m0/s1
InChIKey
REFNDTURFNVOLL-UQQIXKAISA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-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

440.1617 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16898 195.7
[M+Na]+ 463.15092 203.4
[M-H]- 439.15442 203.5
[M+NH4]+ 458.19552 207.3
[M+K]+ 479.12486 203.0
[M+H-H2O]+ 423.15896 190.9
[M+HCOO]- 485.15990 207.3
[M+CH3COO]- 499.17555 221.9
[M+Na-2H]- 461.13637 193.8
[M]+ 440.16115 204.8
[M]- 440.16225 204.8
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.