CID 13941005

69504-10-5

Structural Information

Molecular Formula
C43H47N5O6Si
SMILES
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC
InChI
InChI=1S/C43H47N5O6Si/c1-42(2,3)55(5,6)54-37-34(26-52-43(30-18-12-8-13-19-30,31-20-14-9-15-21-31)32-22-24-33(51-4)25-23-32)53-41(36(37)49)48-28-46-35-38(44-27-45-39(35)48)47-40(50)29-16-10-7-11-17-29/h7-25,27-28,34,36-37,41,49H,26H2,1-6H3,(H,44,45,47,50)/t34-,36-,37-,41-/m1/s1
InChIKey
ORRRQZAEMCGPHS-SXACZLHWSA-N
Compound name
N-[9-[(2R,3R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]purin-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

757.3296 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.33688 267.8
[M+Na]+ 780.31882 267.0
[M-H]- 756.32232 281.2
[M+NH4]+ 775.36342 259.1
[M+K]+ 796.29276 264.7
[M+H-H2O]+ 740.32686 254.0
[M+HCOO]- 802.32780 273.6
[M+CH3COO]- 816.34345 269.0
[M+Na-2H]- 778.30427 267.2
[M]+ 757.32905 271.1
[M]- 757.33015 271.1
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

patents stripe