CID 483572

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

Structural Information

Molecular Formula
C23H31N3O8SSi
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C3([C@H](O2)OC4=CC=CC=C4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H31N3O8SSi/c1-14-12-26(21(28)25-18(14)27)19-17(33-36(5,6)22(2,3)4)23(16(24)13-35(29,30)34-23)20(32-19)31-15-10-8-7-9-11-15/h7-13,17,19-20H,24H2,1-6H3,(H,25,27,28)/t17-,19+,20-,23?/m0/s1
InChIKey
KOCKQWZWTSOTMO-ZVANTGBQSA-N
Compound name
1-[(6S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-phenoxy-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

0
References

0
Patents

537.1601 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.16738 217.7
[M+Na]+ 560.14932 226.4
[M-H]- 536.15282 228.0
[M+NH4]+ 555.19392 225.8
[M+K]+ 576.12326 226.1
[M+H-H2O]+ 520.15736 213.2
[M+HCOO]- 582.15830 227.4
[M+CH3COO]- 596.17395 240.2
[M+Na-2H]- 558.13477 220.2
[M]+ 537.15955 225.9
[M]- 537.16065 225.9
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.