CID 5279508

Chembl2373518

Structural Information

Molecular Formula
C30H54N4O9SSi2
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)N3C)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H54N4O9SSi2/c1-19-16-33(25(36)34(23(19)35)26(37)42-27(2,3)4)24-22(43-46(14,15)29(8,9)10)30(20(31)18-44(38,39)32(30)11)21(41-24)17-40-45(12,13)28(5,6)7/h16,18,21-22,24H,17,31H2,1-15H3/t21-,22+,24-,30-/m1/s1
InChIKey
UIMIPGNBROEXSQ-UPCYQQHISA-N
Compound name
tert-butyl 3-[(5R,6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-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

702.315 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.32228 246.4
[M+Na]+ 725.30422 250.9
[M-H]- 701.30772 252.1
[M+NH4]+ 720.34882 250.0
[M+K]+ 741.27816 253.9
[M+H-H2O]+ 685.31226 245.5
[M+HCOO]- 747.31320 247.9
[M+CH3COO]- 761.32885 273.2
[M+Na-2H]- 723.28967 251.8
[M]+ 702.31445 259.7
[M]- 702.31555 259.7
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.