CID 12166210

1-azetidineacetamide, n-[(5r,6r,8r,9r)-8-(3,4-dihydro-3,5-dimethyl-2,4-dioxo-1(2h)-pyrimidinyl)-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-4-yl]-alpha-oxo-

Structural Information

Molecular Formula
C30H50N4O10SSi2
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(=CS(=O)(=O)O3)NC(=O)C(=O)N4CCC4)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H50N4O10SSi2/c1-19-16-34(27(38)32(8)24(19)36)26-22(43-47(11,12)29(5,6)7)30(21(42-26)17-41-46(9,10)28(2,3)4)20(18-45(39,40)44-30)31-23(35)25(37)33-14-13-15-33/h16,18,21-22,26H,13-15,17H2,1-12H3,(H,31,35)/t21-,22+,26-,30-/m1/s1
InChIKey
SHDHDEOWVCWIJE-HPZLRXOBSA-N
Compound name
2-(azetidin-1-yl)-N-[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

714.2786 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.28588 250.7
[M+Na]+ 737.26782 249.5
[M-H]- 713.27132 258.4
[M+NH4]+ 732.31242 244.9
[M+K]+ 753.24176 256.9
[M+H-H2O]+ 697.27586 243.0
[M+HCOO]- 759.27680 250.4
[M+CH3COO]- 773.29245 274.3
[M+Na-2H]- 735.25327 235.6
[M]+ 714.27805 269.8
[M]- 714.27915 269.8
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.