CID 483577

1-[(1r,2r,4r)-6-amino-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8-dioxo-3,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-2-yl]-5-methyl-3-(2-methylprop-1-enyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C27H47N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C=C(C)C)[C@H]2[C@@H](C3([C@H](O2)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C27H47N3O8SSi2/c1-17(2)14-29-21(31)18(3)15-30(24(29)32)22-20(36-40(10,11)25(4,5)6)27(19(28)16-39(33,34)38-27)23(35-22)37-41(12,13)26(7,8)9/h14-16,20,22-23H,28H2,1-13H3/t20-,22+,23+,27?/m0/s1
InChIKey
ASCNOUKGQGKWML-IQMHCHJVSA-N
Compound name
1-[(6R,8R,9R)-4-amino-6,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-3-(2-methylprop-1-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.26227 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.26955 232.7
[M+Na]+ 652.25149 238.8
[M-H]- 628.25499 240.1
[M+NH4]+ 647.29609 239.1
[M+K]+ 668.22543 240.7
[M+H-H2O]+ 612.25953 231.4
[M+HCOO]- 674.26047 237.0
[M+CH3COO]- 688.27612 260.8
[M+Na-2H]- 650.23694 236.3
[M]+ 629.26172 244.4
[M]- 629.26282 244.4
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.