CID 135468874

Nsc701714

Structural Information

Molecular Formula
C39H63N5O5Si3
SMILES
CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=C(NC3=O)NCC4=CC=CC5=CC=CC=C54)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C39H63N5O5Si3/c1-37(2,3)50(10,11)46-24-29-31(48-51(12,13)38(4,5)6)32(49-52(14,15)39(7,8)9)35(47-29)44-25-41-30-33(44)42-36(43-34(30)45)40-23-27-21-18-20-26-19-16-17-22-28(26)27/h16-22,25,29,31-32,35H,23-24H2,1-15H3,(H2,40,42,43,45)
InChIKey
AAOTYUKEEPXLBT-UHFFFAOYSA-N
Compound name
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-(naphthalen-1-ylmethylamino)-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.4137 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.42098 286.3
[M+Na]+ 788.40292 286.8
[M-H]- 764.40642 291.9
[M+NH4]+ 783.44752 282.3
[M+K]+ 804.37686 285.9
[M+H-H2O]+ 748.41096 277.8
[M+HCOO]- 810.41190 285.4
[M+CH3COO]- 824.42755 286.2
[M+Na-2H]- 786.38837 289.0
[M]+ 765.41315 294.0
[M]- 765.41425 294.0
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.