CID 6479828

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-[(e)-4-hydroxybut-2-enyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H49N3O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C/C=C/CO)[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/C28H49N3O9SSi2/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/h12-13,16,18,21-22,24,32H,14-15,17,29H2,1-11H3/b13-12+/t21-,22+,24-,28?/m1/s1
InChIKey
SDLZRRXNEHXNJD-YEZZSNBTSA-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-[(E)-4-hydroxybut-2-enyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

659.2728 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.28008 242.1
[M+Na]+ 682.26202 246.9
[M-H]- 658.26552 247.7
[M+NH4]+ 677.30662 246.4
[M+K]+ 698.23596 248.2
[M+H-H2O]+ 642.27006 240.3
[M+HCOO]- 704.27100 245.5
[M+CH3COO]- 718.28665 263.2
[M+Na-2H]- 680.24747 246.3
[M]+ 659.27225 254.1
[M]- 659.27335 254.1
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.