CID 468097

4-amino-6-(((dimethylamino)thioxomethoxy)methyl)-8-(3,5-dimethyl-2,4-dioxo(1,3-diazinyl))-1,7-dioxa-9-(1,1,2,2-tetramethyl-1-silapropoxy)-2-thiaspiro[4.4]non-3-ene-2,2-dione

Structural Information

Molecular Formula
C22H36N4O8S2Si
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC(=S)N(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H36N4O8S2Si/c1-13-10-26(19(28)25(7)17(13)27)18-16(33-37(8,9)21(2,3)4)22(14(23)12-36(29,30)34-22)15(32-18)11-31-20(35)24(5)6/h10,12,15-16,18H,11,23H2,1-9H3/t15-,16+,18-,22?/m1/s1
InChIKey
QKHBWIOWCIMYDV-MFFIPFGTSA-N
Compound name
O-[[(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] N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.1744 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.18168 221.9
[M+Na]+ 599.16362 228.9
[M-H]- 575.16712 230.2
[M+NH4]+ 594.20822 230.1
[M+K]+ 615.13756 229.8
[M+H-H2O]+ 559.17166 220.0
[M+HCOO]- 621.17260 227.6
[M+CH3COO]- 635.18825 254.5
[M+Na-2H]- 597.14907 224.0
[M]+ 576.17385 234.0
[M]- 576.17495 234.0
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.