CID 6483025

1(2h)-pyrimidineacetamide, 3-[(6r,8r,9r)-4-amino-9-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-3,6-dihydro-n,n,5-trimethyl-2,6-dioxo-

Structural Information

Molecular Formula
C28H50N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N(C)C)[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/C28H50N4O9SSi2/c1-18-14-32(25(35)31(23(18)34)15-21(33)30(8)9)24-22(40-44(12,13)27(5,6)7)28(19(29)17-42(36,37)41-28)20(39-24)16-38-43(10,11)26(2,3)4/h14,17,20,22,24H,15-16,29H2,1-13H3/t20-,22+,24-,28?/m1/s1
InChIKey
PMRWXDVZDNAGAY-LYRWLZIASA-N
Compound name
2-[3-[(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]-5-methyl-2,6-dioxopyrimidin-1-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

674.2837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.29098 240.3
[M+Na]+ 697.27292 244.5
[M-H]- 673.27642 248.7
[M+NH4]+ 692.31752 244.9
[M+K]+ 713.24686 248.7
[M+H-H2O]+ 657.28096 238.8
[M+HCOO]- 719.28190 245.8
[M+CH3COO]- 733.29755 273.7
[M+Na-2H]- 695.25837 245.3
[M]+ 674.28315 254.0
[M]- 674.28425 254.0
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.