CID 3011343

1-[(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]-3-(2-hydroxyethyl)-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H47N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCO)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H47N3O9SSi2/c1-17-14-29(23(32)28(12-13-30)21(17)31)22-20(37-41(10,11)25(5,6)7)26(18(27)16-39(33,34)38-26)19(36-22)15-35-40(8,9)24(2,3)4/h14,16,19-20,22,30H,12-13,15,27H2,1-11H3/t19-,20+,22-,26?/m1/s1
InChIKey
XFNPFHFYHNDTJD-SACATOBUSA-N
Compound name
1-[(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]-3-(2-hydroxyethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

633.25714 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.26442 234.6
[M+Na]+ 656.24636 240.1
[M-H]- 632.24986 240.7
[M+NH4]+ 651.29096 240.0
[M+K]+ 672.22030 242.2
[M+H-H2O]+ 616.25440 233.1
[M+HCOO]- 678.25534 238.6
[M+CH3COO]- 692.27099 258.9
[M+Na-2H]- 654.23181 239.6
[M]+ 633.25659 246.8
[M]- 633.25769 246.8
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.