CID 453860

9-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-n-[(4-methoxyphenyl)-diphenyl-methyl]purin-6-amine

Structural Information

Molecular Formula
C44H58N6O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=C(C=C7)OC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C44H58N6O7SSi2/c1-41(2,3)59(8,9)54-26-35-44(34(45)27-58(51,52)57-44)37(56-60(10,11)42(4,5)6)40(55-35)50-29-48-36-38(46-28-47-39(36)50)49-43(30-18-14-12-15-19-30,31-20-16-13-17-21-31)32-22-24-33(53-7)25-23-32/h12-25,27-29,35,37,40H,26,45H2,1-11H3,(H,46,47,49)/t35-,37+,40-,44?/m1/s1
InChIKey
WGDQOLLXOWTCGY-VIWSYQSOSA-N
Compound name
9-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-N-[(4-methoxyphenyl)-diphenylmethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

870.3626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 871.36988 257.7
[M+Na]+ 893.35182 272.2
[M-H]- 869.35532 259.0
[M+NH4]+ 888.39642 263.1
[M+K]+ 909.32576 260.6
[M+H-H2O]+ 853.35986 241.0
[M+HCOO]- 915.36080 264.2
[M+CH3COO]- 929.37645 298.8
[M+Na-2H]- 891.33727 263.0
[M]+ 870.36205 285.5
[M]- 870.36315 285.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.