CID 481034

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

Structural Information

Molecular Formula
C20H33N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C20H33N3O8SSi/c1-12-9-23(18(25)22(5)16(12)24)17-15(30-33(7,8)19(2,3)4)20(14(29-17)10-28-6)13(21)11-32(26,27)31-20/h9,11,14-15,17H,10,21H2,1-8H3/t14-,15+,17-,20?/m1/s1
InChIKey
MCQNWOGKMMRSPK-XMLKIIPHSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethyl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.17575 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.18303 206.2
[M+Na]+ 526.16497 216.0
[M-H]- 502.16847 214.8
[M+NH4]+ 521.20957 217.2
[M+K]+ 542.13891 216.8
[M+H-H2O]+ 486.17301 203.6
[M+HCOO]- 548.17395 216.9
[M+CH3COO]- 562.18960 238.4
[M+Na-2H]- 524.15042 208.6
[M]+ 503.17520 217.9
[M]- 503.17630 217.9
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.