CID 455237

Tsao-a deriv.

Structural Information

Molecular Formula
C25H44N6O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=C(N=CN=C43)NC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C25H44N6O6SSi2/c1-23(2,3)39(8,9)34-12-17-25(16(26)13-38(32,33)37-25)19(36-40(10,11)24(4,5)6)22(35-17)31-15-30-18-20(27-7)28-14-29-21(18)31/h13-15,17,19,22H,12,26H2,1-11H3,(H,27,28,29)/t17-,19+,22-,25?/m1/s1
InChIKey
MBDQQMMZXVQQPU-GDIVDRGHSA-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-methylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

612.2582 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.26548 237.4
[M+Na]+ 635.24742 244.2
[M-H]- 611.25092 244.5
[M+NH4]+ 630.29202 244.4
[M+K]+ 651.22136 245.9
[M+H-H2O]+ 595.25546 235.1
[M+HCOO]- 657.25640 243.1
[M+CH3COO]- 671.27205 257.3
[M+Na-2H]- 633.23287 242.9
[M]+ 612.25765 248.7
[M]- 612.25875 248.7
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.