CID 472616

[(2r,4r,5r)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] carbamate

Structural Information

Molecular Formula
C25H44N4O7Si2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C([C@H](O2)CO[Si](C)(C)C(C)(C)C)(C#N)OC(=O)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O7Si2/c1-16-13-29(22(32)28(8)19(16)30)20-18(36-38(11,12)24(5,6)7)25(15-26,35-21(27)31)17(34-20)14-33-37(9,10)23(2,3)4/h13,17-18,20H,14H2,1-12H3,(H2,27,31)/t17-,18+,20-,25?/m1/s1
InChIKey
XBVMXDKPCNNWHO-CGLAGFNYSA-N
Compound name
[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-cyano-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.27484 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.28212 227.5
[M+Na]+ 591.26406 233.6
[M-H]- 567.26756 230.5
[M+NH4]+ 586.30866 231.9
[M+K]+ 607.23800 234.9
[M+H-H2O]+ 551.27210 215.3
[M+HCOO]- 613.27304 233.8
[M+CH3COO]- 627.28869 258.8
[M+Na-2H]- 589.24951 228.0
[M]+ 568.27429 230.0
[M]- 568.27539 230.0
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.