CID 11607068

Chembl380100

Structural Information

Molecular Formula
C27H50N4O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN)[C@H]2[C@@H]([C@]3([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/C27H50N4O8SSi2/c1-18-15-31(24(33)30(22(18)32)14-12-13-28)23-21(38-42(10,11)26(5,6)7)27(19(29)17-40(34,35)39-27)20(37-23)16-36-41(8,9)25(2,3)4/h15,17,20-21,23H,12-14,16,28-29H2,1-11H3/t20-,21+,23-,27-/m1/s1
InChIKey
GPEIGMRODCSUDE-MGUUAAOPSA-N
Compound name
1-[(5R,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-(3-aminopropyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

646.2888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.29608 240.7
[M+Na]+ 669.27802 245.5
[M-H]- 645.28152 247.2
[M+NH4]+ 664.32262 245.7
[M+K]+ 685.25196 247.2
[M+H-H2O]+ 629.28606 238.4
[M+HCOO]- 691.28700 245.8
[M+CH3COO]- 705.30265 266.3
[M+Na-2H]- 667.26347 244.9
[M]+ 646.28825 251.7
[M]- 646.28935 251.7
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.