CID 481039

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-8,8-dioxo-1-(1-piperidylmethyl)-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
C24H40N4O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CN4CCCCC4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H40N4O7SSi/c1-16-13-28(22(30)26(5)20(16)29)21-19(34-37(6,7)23(2,3)4)24(17(25)15-36(31,32)35-24)18(33-21)14-27-11-9-8-10-12-27/h13,15,18-19,21H,8-12,14,25H2,1-7H3/t18-,19+,21-,24?/m1/s1
InChIKey
RUAZOKNNIDITKT-FVYFYLNTSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(piperidin-1-ylmethyl)-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

556.2387 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.24598 223.8
[M+Na]+ 579.22792 230.8
[M-H]- 555.23142 233.0
[M+NH4]+ 574.27252 230.7
[M+K]+ 595.20186 230.6
[M+H-H2O]+ 539.23596 219.2
[M+HCOO]- 601.23690 229.0
[M+CH3COO]- 615.25255 247.9
[M+Na-2H]- 577.21337 222.7
[M]+ 556.23815 229.5
[M]- 556.23925 229.5
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.