CID 468093

(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 acetate

Structural Information

Molecular Formula
C21H33N3O9SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)COC(=O)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H33N3O9SSi/c1-12-9-24(19(27)23(6)17(12)26)18-16(32-35(7,8)20(3,4)5)21(14(22)11-34(28,29)33-21)15(31-18)10-30-13(2)25/h9,11,15-16,18H,10,22H2,1-8H3/t15-,16+,18-,21?/m1/s1
InChIKey
GOKRJOQLQMICIY-VVTKKKPISA-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 acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.17065 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.17793 210.7
[M+Na]+ 554.15987 219.4
[M-H]- 530.16337 219.1
[M+NH4]+ 549.20447 220.2
[M+K]+ 570.13381 221.0
[M+H-H2O]+ 514.16791 208.4
[M+HCOO]- 576.16885 220.4
[M+CH3COO]- 590.18450 243.3
[M+Na-2H]- 552.14532 212.6
[M]+ 531.17010 222.8
[M]- 531.17120 222.8
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.