CID 135511095

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

Structural Information

Molecular Formula
C23H40N6O6SSi2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C12C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C)N3C=NC(=N)C4=C3N=CN4
InChI
InChI=1S/C23H40N6O6SSi2/c1-21(2,3)37(7,8)33-16-19(29-13-28-17(25)15-18(29)27-12-26-15)32-20(34-38(9,10)22(4,5)6)23(16)14(24)11-36(30,31)35-23/h11-13,16,19-20,25H,24H2,1-10H3,(H,26,27)/t16-,19+,20+,23?/m0/s1
InChIKey
QXHPOJLOAUEFDF-UHNHNUJLSA-N
Compound name
(6R,8R,9R)-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8-(6-imino-7H-purin-3-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.22687 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.23415 230.3
[M+Na]+ 607.21609 237.6
[M-H]- 583.21959 236.4
[M+NH4]+ 602.26069 237.6
[M+K]+ 623.19003 238.4
[M+H-H2O]+ 567.22413 228.5
[M+HCOO]- 629.22507 235.2
[M+CH3COO]- 643.24072 249.5
[M+Na-2H]- 605.20154 236.1
[M]+ 584.22632 238.6
[M]- 584.22742 238.6
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.