CID 15958322

1-[(2r,3r,4r,5r)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-3-(2h-tetrazol-5-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C24H44N6O6Si2
SMILES
CC1=CN(C(=O)N(C1=O)CC2=NNN=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H44N6O6Si2/c1-15-12-30(22(33)29(20(15)32)13-17-25-27-28-26-17)21-19(36-38(10,11)24(5,6)7)18(31)16(35-21)14-34-37(8,9)23(2,3)4/h12,16,18-19,21,31H,13-14H2,1-11H3,(H,25,26,27,28)/t16-,18-,19-,21-/m1/s1
InChIKey
ATGUKYONRNONET-XLBJILASSA-N
Compound name
1-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methyl-3-(2H-tetrazol-5-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

568.2861 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.29338 237.9
[M+Na]+ 591.27532 243.2
[M-H]- 567.27882 240.0
[M+NH4]+ 586.31992 237.0
[M+K]+ 607.24926 241.4
[M+H-H2O]+ 551.28336 230.2
[M+HCOO]- 613.28430 240.8
[M+CH3COO]- 627.29995 246.6
[M+Na-2H]- 589.26077 236.1
[M]+ 568.28555 244.0
[M]- 568.28665 244.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.