CID 483576

3-allyl-1-[(1r,2r,4r)-6-amino-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8-dioxo-3,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C26H45N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC=C)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H45N3O8SSi2/c1-13-14-28-20(30)17(2)15-29(23(28)31)21-19(35-39(9,10)24(3,4)5)26(18(27)16-38(32,33)37-26)22(34-21)36-40(11,12)25(6,7)8/h13,15-16,19,21-22H,1,14,27H2,2-12H3/t19-,21+,22+,26?/m0/s1
InChIKey
KLTOAYABKKGZBN-FWSFUOJTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.25388 231.0
[M+Na]+ 638.23582 237.8
[M-H]- 614.23932 238.5
[M+NH4]+ 633.28042 237.9
[M+K]+ 654.20976 239.1
[M+H-H2O]+ 598.24386 229.3
[M+HCOO]- 660.24480 236.5
[M+CH3COO]- 674.26045 257.8
[M+Na-2H]- 636.22127 235.5
[M]+ 615.24605 242.9
[M]- 615.24715 242.9
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.