CID 452045

121055-66-1

Structural Information

Molecular Formula
C25H42N6O2Si
SMILES
CC(C)(C)C(C)(C)C[C@@H]1[C@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO[Si](C)(C)C(C)(C)C)C#N
InChI
InChI=1S/C25H42N6O2Si/c1-23(2,3)25(7,8)11-16-17(12-26)18(13-32-34(9,10)24(4,5)6)33-22(16)31-15-30-19-20(27)28-14-29-21(19)31/h14-18,22H,11,13H2,1-10H3,(H2,27,28,29)/t16-,17-,18-,22-/m1/s1
InChIKey
YPAADXGCDANNNP-OZQHCQBDSA-N
Compound name
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,2,3,3-tetramethylbutyl)oxolane-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

486.31384 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.32112 226.4
[M+Na]+ 509.30306 232.6
[M-H]- 485.30656 227.1
[M+NH4]+ 504.34766 231.2
[M+K]+ 525.27700 229.7
[M+H-H2O]+ 469.31110 211.0
[M+HCOO]- 531.31204 231.2
[M+CH3COO]- 545.32769 248.3
[M+Na-2H]- 507.28851 225.4
[M]+ 486.31329 224.8
[M]- 486.31439 224.8
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.