CID 468099

1-[(1r,3r,4r)-1-(allyloxymethyl)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-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
C22H35N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COCC=C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H35N3O8SSi/c1-9-10-30-12-16-22(15(23)13-34(28,29)33-22)17(32-35(7,8)21(3,4)5)19(31-16)25-11-14(2)18(26)24(6)20(25)27/h9,11,13,16-17,19H,1,10,12,23H2,2-8H3/t16-,17+,19-,22?/m1/s1
InChIKey
MRBQKNWTJKHGSF-NOGMPNEWSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(prop-2-enoxymethyl)-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

529.1914 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.19868 213.7
[M+Na]+ 552.18062 222.8
[M-H]- 528.18412 221.9
[M+NH4]+ 547.22522 223.5
[M+K]+ 568.15456 222.7
[M+H-H2O]+ 512.18866 210.9
[M+HCOO]- 574.18960 223.9
[M+CH3COO]- 588.20525 243.4
[M+Na-2H]- 550.16607 215.3
[M]+ 529.19085 225.4
[M]- 529.19195 225.4
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.