CID 496869

Nsc700838

Structural Information

Molecular Formula
C24H44N2O5Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=CC(=O)NC2=O)CC=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N2O5Si2/c1-12-13-17-20(31-33(10,11)24(5,6)7)18(16-29-32(8,9)23(2,3)4)30-21(17)26-15-14-19(27)25-22(26)28/h12,14-15,17-18,20-21H,1,13,16H2,2-11H3,(H,25,27,28)/t17-,18-,20+,21-/m0/s1
InChIKey
ZUYKHQFLMLDXJZ-MMKMLUHNSA-N
Compound name
1-[(2S,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.27887 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.28615 218.0
[M+Na]+ 519.26809 222.8
[M-H]- 495.27159 221.1
[M+NH4]+ 514.31269 224.4
[M+K]+ 535.24203 220.8
[M+H-H2O]+ 479.27613 211.5
[M+HCOO]- 541.27707 226.0
[M+CH3COO]- 555.29272 236.5
[M+Na-2H]- 517.25354 218.6
[M]+ 496.27832 223.7
[M]- 496.27942 223.7
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.