CID 453839

141684-48-2

Structural Information

Molecular Formula
C18H29N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O
InChI
InChI=1S/C18H29N3O8SSi/c1-10-7-21(16(24)20-14(10)23)15-13(22)18(11(19)9-30(25,26)29-18)12(28-15)8-27-31(5,6)17(2,3)4/h7,9,12-13,15,22H,8,19H2,1-6H3,(H,20,23,24)/t12-,13+,15-,18?/m1/s1
InChIKey
CDJVCWAMPWXXRB-JMCPPOTBSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxy-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

475.14447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.15175 200.4
[M+Na]+ 498.13369 209.3
[M-H]- 474.13719 206.3
[M+NH4]+ 493.17829 210.8
[M+K]+ 514.10763 208.9
[M+H-H2O]+ 458.14173 198.1
[M+HCOO]- 520.14267 208.8
[M+CH3COO]- 534.15832 227.5
[M+Na-2H]- 496.11914 203.3
[M]+ 475.14392 207.6
[M]- 475.14502 207.6
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.