CID 6479822

2-propenoic acid, 3-[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-5-methyl-2,6-dioxo-1(2h)-pyrimidinyl]-, methyl ester, (2e)-

Structural Information

Molecular Formula
C28H47N3O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)/C=C/C(=O)OC)[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/C28H47N3O10SSi2/c1-18-15-31(25(34)30(23(18)33)14-13-21(32)37-8)24-22(40-44(11,12)27(5,6)7)28(19(29)17-42(35,36)41-28)20(39-24)16-38-43(9,10)26(2,3)4/h13-15,17,20,22,24H,16,29H2,1-12H3/b14-13+/t20-,22+,24-,28?/m1/s1
InChIKey
SDDGUAQCYXGYCN-CIJCREPCSA-N
Compound name
methyl (E)-3-[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]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

673.2521 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 674.25938 240.4
[M+Na]+ 696.24132 245.3
[M-H]- 672.24482 247.5
[M+NH4]+ 691.28592 244.6
[M+K]+ 712.21526 248.3
[M+H-H2O]+ 656.24936 239.2
[M+HCOO]- 718.25030 244.8
[M+CH3COO]- 732.26595 266.7
[M+Na-2H]- 694.22677 245.3
[M]+ 673.25155 254.3
[M]- 673.25265 254.3
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.