CID 481035

1-[(1r,3r,4r)-6-amino-1-(benzyloxymethyl)-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
C26H37N3O8SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COCC4=CC=CC=C4)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H37N3O8SSi/c1-17-13-29(24(31)28(5)22(17)30)23-21(36-39(6,7)25(2,3)4)26(19(27)16-38(32,33)37-26)20(35-23)15-34-14-18-11-9-8-10-12-18/h8-13,16,20-21,23H,14-15,27H2,1-7H3/t20-,21+,23-,26?/m1/s1
InChIKey
GBLYOAWHCSDRDZ-WTIKXFBWSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-2,2-dioxo-6-(phenylmethoxymethyl)-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

1
References

0
Patents

579.2071 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.21438 228.9
[M+Na]+ 602.19632 237.4
[M-H]- 578.19982 240.3
[M+NH4]+ 597.24092 236.2
[M+K]+ 618.17026 237.5
[M+H-H2O]+ 562.20436 224.0
[M+HCOO]- 624.20530 239.0
[M+CH3COO]- 638.22095 251.8
[M+Na-2H]- 600.18177 230.1
[M]+ 579.20655 240.0
[M]- 579.20765 240.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.