CID 3011342

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]-3-(2-methoxyethyl)-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H49N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCOC)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H49N3O9SSi2/c1-18-15-30(24(32)29(22(18)31)13-14-35-8)23-21(38-42(11,12)26(5,6)7)27(19(28)17-40(33,34)39-27)20(37-23)16-36-41(9,10)25(2,3)4/h15,17,20-21,23H,13-14,16,28H2,1-12H3/t20-,21+,23-,27?/m1/s1
InChIKey
NYVXJRRSWCLSIK-HEXPWKSXSA-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]-3-(2-methoxyethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

647.2728 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.28008 237.9
[M+Na]+ 670.26202 243.4
[M-H]- 646.26552 245.1
[M+NH4]+ 665.30662 243.5
[M+K]+ 686.23596 246.1
[M+H-H2O]+ 630.27006 236.0
[M+HCOO]- 692.27100 243.0
[M+CH3COO]- 706.28665 263.4
[M+Na-2H]- 668.24747 242.9
[M]+ 647.27225 252.1
[M]- 647.27335 252.1
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.