CID 468096

((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)methoxy)-n,n-dimethylformamide

Structural Information

Molecular Formula
C22H36N4O9SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC(=O)N(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C22H36N4O9SSi/c1-13-10-26(19(28)25(7)17(13)27)18-16(34-37(8,9)21(2,3)4)22(14(23)12-36(30,31)35-22)15(33-18)11-32-20(29)24(5)6/h10,12,15-16,18H,11,23H2,1-9H3/t15-,16+,18-,22?/m1/s1
InChIKey
RFWZVUZXHWJGKM-MFFIPFGTSA-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 N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.1972 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.20448 217.5
[M+Na]+ 583.18642 224.9
[M-H]- 559.18992 227.0
[M+NH4]+ 578.23102 226.1
[M+K]+ 599.16036 227.8
[M+H-H2O]+ 543.19446 214.9
[M+HCOO]- 605.19540 228.2
[M+CH3COO]- 619.21105 253.8
[M+Na-2H]- 581.17187 219.7
[M]+ 560.19665 230.2
[M]- 560.19775 230.2
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.