CID 481033

1-[(1r,3r,4r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-(isobutoxymethyl)-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
C23H39N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COCC(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H39N3O8SSi/c1-14(2)11-31-12-17-23(16(24)13-35(29,30)34-23)18(33-36(8,9)22(4,5)6)20(32-17)26-10-15(3)19(27)25(7)21(26)28/h10,13-14,17-18,20H,11-12,24H2,1-9H3/t17-,18+,20-,23?/m1/s1
InChIKey
BYTNJWGXWGHQOU-MLYQTBBXSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-(2-methylpropoxymethyl)-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

545.2227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.22998 217.2
[M+Na]+ 568.21192 225.3
[M-H]- 544.21542 225.3
[M+NH4]+ 563.25652 226.4
[M+K]+ 584.18586 226.3
[M+H-H2O]+ 528.21996 214.6
[M+HCOO]- 590.22090 226.0
[M+CH3COO]- 604.23655 247.8
[M+Na-2H]- 566.19737 217.7
[M]+ 545.22215 229.4
[M]- 545.22325 229.4
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.