CID 3011350

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-(4-hydroxybutyl)-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H51N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCCO)[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/C28H51N3O9SSi2/c1-19-16-31(25(34)30(23(19)33)14-12-13-15-32)24-22(39-43(10,11)27(5,6)7)28(20(29)18-41(35,36)40-28)21(38-24)17-37-42(8,9)26(2,3)4/h16,18,21-22,24,32H,12-15,17,29H2,1-11H3/t21-,22+,24-,28?/m1/s1
InChIKey
HQLJJHRTPBDQMX-YQRJVEMMSA-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-(4-hydroxybutyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

661.28845 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 662.29573 242.4
[M+Na]+ 684.27767 246.9
[M-H]- 660.28117 248.1
[M+NH4]+ 679.32227 246.7
[M+K]+ 700.25161 248.9
[M+H-H2O]+ 644.28571 240.6
[M+HCOO]- 706.28665 245.7
[M+CH3COO]- 720.30230 264.3
[M+Na-2H]- 682.26312 246.7
[M]+ 661.28790 255.2
[M]- 661.28900 255.2
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.