CID 496301

2-[(2r,3r,4s,5r)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phenylsulfanyl-tetrahydrofuran-3-yl]acetonitrile

Structural Information

Molecular Formula
C30H47N3O5SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]([C@H](O2)CO[Si](C)(C)C(C)(C)C)(CC#N)SC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H47N3O5SSi2/c1-21-19-33(27(35)32-25(21)34)26-24(38-41(10,11)29(5,6)7)30(17-18-31,39-22-15-13-12-14-16-22)23(37-26)20-36-40(8,9)28(2,3)4/h12-16,19,23-24,26H,17,20H2,1-11H3,(H,32,34,35)/t23-,24+,26-,30-/m1/s1
InChIKey
BIUFPKPVDIUDHP-AQYJNGKQSA-N
Compound name
2-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-phenylsulfanyloxolan-3-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

617.27747 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.28475 252.0
[M+Na]+ 640.26669 257.9
[M-H]- 616.27019 256.2
[M+NH4]+ 635.31129 254.6
[M+K]+ 656.24063 254.7
[M+H-H2O]+ 600.27473 237.9
[M+HCOO]- 662.27567 252.5
[M+CH3COO]- 676.29132 259.9
[M+Na-2H]- 638.25214 250.5
[M]+ 617.27692 253.9
[M]- 617.27802 253.9
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.