CID 489861

[(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]urea

Structural Information

Molecular Formula
C26H46N4O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NC(=O)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H46N4O9SSi2/c1-16-13-30(23(33)29(8)20(16)31)21-19(38-42(11,12)25(5,6)7)26(17(28-22(27)32)15-40(34,35)39-26)18(37-21)14-36-41(9,10)24(2,3)4/h13,15,18-19,21H,14H2,1-12H3,(H3,27,28,32)/t18-,19+,21-,26?/m1/s1
InChIKey
WLVIZZINIAXMQK-WDMLVDSYSA-N
Compound name
[(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]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

646.2524 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.25968 235.6
[M+Na]+ 669.24162 240.4
[M-H]- 645.24512 242.9
[M+NH4]+ 664.28622 240.7
[M+K]+ 685.21556 243.5
[M+H-H2O]+ 629.24966 234.1
[M+HCOO]- 691.25060 241.1
[M+CH3COO]- 705.26625 265.8
[M+Na-2H]- 667.22707 241.4
[M]+ 646.25185 247.4
[M]- 646.25295 247.4
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.