CID 135484740

Nsc701713

Structural Information

Molecular Formula
C35H61N5O5Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2N=C(NC3=O)NCC4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H61N5O5Si3/c1-33(2,3)46(10,11)42-22-25-27(44-47(12,13)34(4,5)6)28(45-48(14,15)35(7,8)9)31(43-25)40-23-37-26-29(40)38-32(39-30(26)41)36-21-24-19-17-16-18-20-24/h16-20,23,25,27-28,31H,21-22H2,1-15H3,(H2,36,38,39,41)/t25-,27-,28-,31-/m0/s1
InChIKey
AGALEEVUBIOKBR-HGVDDWNCSA-N
Compound name
2-(benzylamino)-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

715.3981 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 716.40538 272.2
[M+Na]+ 738.38732 273.1
[M-H]- 714.39082 277.4
[M+NH4]+ 733.43192 269.6
[M+K]+ 754.36126 272.5
[M+H-H2O]+ 698.39536 264.3
[M+HCOO]- 760.39630 273.5
[M+CH3COO]- 774.41195 276.4
[M+Na-2H]- 736.37277 275.0
[M]+ 715.39755 279.9
[M]- 715.39865 279.9
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.