CID 489865

1-[(1r,3r,4r)-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-yl]-3-ethyl-urea

Structural Information

Molecular Formula
C28H50N4O9SSi2
SMILES
CCNC(=O)NC1=CS(=O)(=O)OC12[C@H](O[C@H]([C@@H]2O[Si](C)(C)C(C)(C)C)N3C=C(C(=O)N(C3=O)C)C)CO[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H50N4O9SSi2/c1-14-29-24(34)30-19-17-42(36,37)41-28(19)20(16-38-43(10,11)26(3,4)5)39-23(21(28)40-44(12,13)27(6,7)8)32-15-18(2)22(33)31(9)25(32)35/h15,17,20-21,23H,14,16H2,1-13H3,(H2,29,30,34)/t20-,21+,23-,28?/m1/s1
InChIKey
XVPYEPXZELVCOE-BIKJXUOWSA-N
Compound name
1-[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

674.2837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.29098 242.9
[M+Na]+ 697.27292 247.0
[M-H]- 673.27642 250.4
[M+NH4]+ 692.31752 247.2
[M+K]+ 713.24686 250.1
[M+H-H2O]+ 657.28096 241.1
[M+HCOO]- 719.28190 248.4
[M+CH3COO]- 733.29755 270.9
[M+Na-2H]- 695.25837 249.0
[M]+ 674.28315 256.2
[M]- 674.28425 256.2
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.