CID 452048

121055-69-4

Structural Information

Molecular Formula
C23H40N6O3Si2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O[Si](C)(C)C(C)(C)C)C#N
InChI
InChI=1S/C23H40N6O3Si2/c1-22(2,3)33(7,8)30-12-16-15(11-24)18(32-34(9,10)23(4,5)6)21(31-16)29-14-28-17-19(25)26-13-27-20(17)29/h13-16,18,21H,12H2,1-10H3,(H2,25,26,27)/t15-,16-,18-,21-/m1/s1
InChIKey
FCYKAECAKOIHFF-BZSOYRFXSA-N
Compound name
(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

504.27005 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.27733 226.0
[M+Na]+ 527.25927 232.2
[M-H]- 503.26277 226.8
[M+NH4]+ 522.30387 230.5
[M+K]+ 543.23321 230.2
[M+H-H2O]+ 487.26731 210.7
[M+HCOO]- 549.26825 231.2
[M+CH3COO]- 563.28390 247.8
[M+Na-2H]- 525.24472 225.7
[M]+ 504.26950 225.3
[M]- 504.27060 225.3
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.