CID 5279513

Chembl2373357

Structural Information

Molecular Formula
C29H52N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C(=O)OC(C)(C)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/C29H52N4O9SSi2/c1-18-15-32(24(35)33(22(18)34)25(36)41-26(2,3)4)23-21(42-45(13,14)28(8,9)10)29(19(30)17-43(37,38)31-29)20(40-23)16-39-44(11,12)27(5,6)7/h15,17,20-21,23,31H,16,30H2,1-14H3/t20-,21+,23-,29-/m1/s1
InChIKey
NQQWSKSKRRHKDC-WBOOAFCDSA-N
Compound name
tert-butyl 3-[(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]-5-methyl-2,6-dioxopyrimidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

688.2994 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.30668 244.9
[M+Na]+ 711.28862 248.7
[M-H]- 687.29212 249.1
[M+NH4]+ 706.33322 248.2
[M+K]+ 727.26256 251.1
[M+H-H2O]+ 671.29666 244.0
[M+HCOO]- 733.29760 245.3
[M+CH3COO]- 747.31325 267.5
[M+Na-2H]- 709.27407 224.8
[M]+ 688.29885 255.8
[M]- 688.29995 255.8
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.