CID 15954112

1-[(1r,3r,4r,5r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-nitro-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H44N4O10SSi2
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(=C(S(=O)(=O)O3)[N+](=O)[O-])N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H44N4O10SSi2/c1-15-13-28(22(31)27(8)19(15)30)20-18(38-42(11,12)24(5,6)7)25(17(26)21(29(32)33)40(34,35)39-25)16(37-20)14-36-41(9,10)23(2,3)4/h13,16,18,20H,14,26H2,1-12H3/t16-,18+,20-,25+/m1/s1
InChIKey
ISUXLKLWNJEKEZ-VNVACVKESA-N
Compound name
1-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitro-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

648.2317 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.23898 233.9
[M+Na]+ 671.22092 238.0
[M-H]- 647.22442 241.6
[M+NH4]+ 666.26552 238.2
[M+K]+ 687.19486 236.7
[M+H-H2O]+ 631.22896 236.7
[M+HCOO]- 693.22990 240.1
[M+CH3COO]- 707.24555 257.0
[M+Na-2H]- 669.20637 232.0
[M]+ 648.23115 243.4
[M]- 648.23225 243.4
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.