CID 5279511

Chembl2373413

Structural Information

Molecular Formula
C25H46N4O7SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)N3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H46N4O7SSi2/c1-16-13-29(22(31)28(8)20(16)30)21-19(36-39(11,12)24(5,6)7)25(17(26)15-37(32,33)27-25)18(35-21)14-34-38(9,10)23(2,3)4/h13,15,18-19,21,27H,14,26H2,1-12H3/t18-,19+,21-,25-/m1/s1
InChIKey
ZLGNITVYFAAVFO-XDSPWSPCSA-N
Compound name
1-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-7-oxa-2lambda6-thia-1-azaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

602.2626 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 603.26988 231.5
[M+Na]+ 625.25182 238.0
[M-H]- 601.25532 236.1
[M+NH4]+ 620.29642 238.4
[M+K]+ 641.22576 237.7
[M+H-H2O]+ 585.25986 229.2
[M+HCOO]- 647.26080 234.9
[M+CH3COO]- 661.27645 253.6
[M+Na-2H]- 623.23727 234.5
[M]+ 602.26205 240.5
[M]- 602.26315 240.5
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.