CID 489860

N'-[(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]oxamide

Structural Information

Molecular Formula
C27H46N4O10SSi2
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)C(=O)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H46N4O10SSi2/c1-16-13-31(24(35)30(8)22(16)34)23-19(40-44(11,12)26(5,6)7)27(18(39-23)14-38-43(9,10)25(2,3)4)17(15-42(36,37)41-27)29-21(33)20(28)32/h13,15,18-19,23H,14H2,1-12H3,(H2,28,32)(H,29,33)/t18-,19+,23-,27?/m1/s1
InChIKey
DTLIBBXTCJTXFE-HLDBYZAYSA-N
Compound name
N'-[(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]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

674.2473 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.25458 214.4
[M+Na]+ 697.23652 222.7
[M-H]- 673.24002 215.4
[M+NH4]+ 692.28112 218.0
[M+K]+ 713.21046 212.9
[M+H-H2O]+ 657.24456 237.5
[M+HCOO]- 719.24550 220.2
[M+CH3COO]- 733.26115 270.4
[M+Na-2H]- 695.22197 230.1
[M]+ 674.24675 230.5
[M]- 674.24785 230.5
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.