CID 135493883

Nsc668822

Structural Information

Molecular Formula
C28H55N5O5Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=C(NC3=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H55N5O5Si3/c1-26(2,3)39(10,11)35-16-18-20(37-40(12,13)27(4,5)6)21(38-41(14,15)28(7,8)9)24(36-18)33-17-30-19-22(33)31-25(29)32-23(19)34/h17-18,20-21,24H,16H2,1-15H3,(H3,29,31,32,34)/t18-,20-,21-,24-/m0/s1
InChIKey
AMSWKXJXTYPJKN-FVLCUVFVSA-N
Compound name
2-amino-9-[(2S,3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

625.3511 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 626.35838 252.2
[M+Na]+ 648.34032 255.4
[M-H]- 624.34382 254.5
[M+NH4]+ 643.38492 253.8
[M+K]+ 664.31426 255.5
[M+H-H2O]+ 608.34836 246.7
[M+HCOO]- 670.34930 254.3
[M+CH3COO]- 684.36495 260.9
[M+Na-2H]- 646.32577 255.1
[M]+ 625.35055 259.5
[M]- 625.35165 259.5
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.