CID 15956352

2-[(4s)-2,4-dimethyl-4-(methylsulfanylmethoxy)tetrahydrofuran-2-yl]-n-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl]acetamide

Structural Information

Molecular Formula
C20H29N3O6S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CNC(=O)CC3(C[C@](CO3)(C)OCSC)C
InChI
InChI=1S/C20H29N3O6S/c1-13-9-23(18(26)22-17(13)25)16-6-5-14(29-16)8-21-15(24)7-19(2)10-20(3,11-27-19)28-12-30-4/h5-6,9,14,16H,7-8,10-12H2,1-4H3,(H,21,24)(H,22,25,26)/t14-,16+,19?,20-/m0/s1
InChIKey
MGWWHJRTEXYWAI-HOZYATFUSA-N
Compound name
2-[(4S)-2,4-dimethyl-4-(methylsulfanylmethoxy)oxolan-2-yl]-N-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1777 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18498 197.3
[M+Na]+ 462.16692 204.3
[M-H]- 438.17042 205.0
[M+NH4]+ 457.21152 208.7
[M+K]+ 478.14086 203.0
[M+H-H2O]+ 422.17496 192.0
[M+HCOO]- 484.17590 209.5
[M+CH3COO]- 498.19155 224.9
[M+Na-2H]- 460.15237 195.9
[M]+ 439.17715 204.2
[M]- 439.17825 204.2
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.