CID 468106

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]hexahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C23H43N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3CCC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H43N3O8SSi2/c1-21(2,3)36(7,8)31-13-16-23(15(24)14-35(29,30)34-23)18(33-37(9,10)22(4,5)6)19(32-16)26-12-11-17(27)25-20(26)28/h14,16,18-19H,11-13,24H2,1-10H3,(H,25,27,28)/t16-,18+,19-,23?/m1/s1
InChIKey
OEXJQXDJNOQEIL-BVSLTHQCSA-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]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

577.23096 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.23824 222.2
[M+Na]+ 600.22018 225.4
[M-H]- 576.22368 226.7
[M+NH4]+ 595.26478 229.3
[M+K]+ 616.19412 227.4
[M+H-H2O]+ 560.22822 221.2
[M+HCOO]- 622.22916 223.0
[M+CH3COO]- 636.24481 246.7
[M+Na-2H]- 598.20563 226.5
[M]+ 577.23041 227.5
[M]- 577.23151 227.6
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.