CID 468098

(9-amino-3-(3,5-dimethyl-2,4-dioxo(1,3-diazinyl))-2,6-dioxa-7,7-dioxo-4-(1,1,2,2-tetramethyl-1-silapropoxy)-7-thiaspiro[4.4]non-8-enyl)methyl prop-2-enyloxyformate

Structural Information

Molecular Formula
C23H35N3O10SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC(=O)OCC=C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C23H35N3O10SSi/c1-9-10-32-21(29)33-12-16-23(15(24)13-37(30,31)36-23)17(35-38(7,8)22(3,4)5)19(34-16)26-11-14(2)18(27)25(6)20(26)28/h9,11,13,16-17,19H,1,10,12,24H2,2-8H3/t16-,17+,19-,23?/m1/s1
InChIKey
QTMXRNDVRMKIAL-RPNIPRFFSA-N
Compound name
[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-8-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-6-yl]methyl prop-2-enyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.1812 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.18848 220.2
[M+Na]+ 596.17042 227.9
[M-H]- 572.17392 228.2
[M+NH4]+ 591.21502 227.8
[M+K]+ 612.14436 229.5
[M+H-H2O]+ 556.17846 217.8
[M+HCOO]- 618.17940 229.6
[M+CH3COO]- 632.19505 250.0
[M+Na-2H]- 594.15587 222.2
[M]+ 573.18065 233.6
[M]- 573.18175 233.6
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.