CID 135508524

401812-99-5

Structural Information

Molecular Formula
C24H43N5O5Si2
SMILES
CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C24H43N5O5Si2/c1-22(2,3)35(10,11)33-17-16-14(12-31-36(34-16,23(4,5)6)24(7,8)9)32-20(17)29-13-26-15-18(29)27-21(25)28-19(15)30/h13-14,16-17,20H,12H2,1-11H3,(H3,25,27,28,30)/t14-,16-,17-,20-/m1/s1
InChIKey
ZASBWDKOEOJQMT-WVSUBDOOSA-N
Compound name
9-[(4aR,6R,7R,7aR)-2,2-ditert-butyl-7-[tert-butyl(dimethyl)silyl]oxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxasilin-6-yl]-2-amino-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.2803 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.28758 231.8
[M+Na]+ 560.26952 238.1
[M-H]- 536.27302 235.9
[M+NH4]+ 555.31412 236.3
[M+K]+ 576.24346 238.6
[M+H-H2O]+ 520.27756 226.6
[M+HCOO]- 582.27850 233.7
[M+CH3COO]- 596.29415 245.5
[M+Na-2H]- 558.25497 235.0
[M]+ 537.27975 236.7
[M]- 537.28085 236.7
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.