CID 496600

1-[(2r,3r,4r,5s)-4-allyl-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H46N2O5Si2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)CC=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H46N2O5Si2/c1-13-14-18-19(16-30-33(9,10)24(3,4)5)31-22(20(18)32-34(11,12)25(6,7)8)27-15-17(2)21(28)26-23(27)29/h13,15,18-20,22H,1,14,16H2,2-12H3,(H,26,28,29)/t18-,19-,20-,22-/m1/s1
InChIKey
XNFIPHJORCOHDE-NXLVEIQXSA-N
Compound name
1-[(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.29453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.30181 221.5
[M+Na]+ 533.28375 226.7
[M-H]- 509.28725 224.8
[M+NH4]+ 528.32835 227.6
[M+K]+ 549.25769 224.7
[M+H-H2O]+ 493.29179 215.2
[M+HCOO]- 555.29273 229.2
[M+CH3COO]- 569.30838 240.8
[M+Na-2H]- 531.26920 221.2
[M]+ 510.29398 228.0
[M]- 510.29508 228.0
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.