CID 483582

4-amino-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]pyrimidin-2-one

Structural Information

Molecular Formula
C22H40N4O7SSi2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H](C12C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C)N3C=CC(=NC3=O)N
InChI
InChI=1S/C22H40N4O7SSi2/c1-20(2,3)35(7,8)31-16-17(26-12-11-15(24)25-19(26)27)30-18(32-36(9,10)21(4,5)6)22(16)14(23)13-34(28,29)33-22/h11-13,16-18H,23H2,1-10H3,(H2,24,25,27)/t16-,17+,18+,22?/m0/s1
InChIKey
SIQPBSRPRZYFNN-UBTYJOTCSA-N
Compound name
4-amino-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]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.21564 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.22292 220.4
[M+Na]+ 583.20486 226.5
[M-H]- 559.20836 227.4
[M+NH4]+ 578.24946 228.7
[M+K]+ 599.17880 228.3
[M+H-H2O]+ 543.21290 217.9
[M+HCOO]- 605.21384 227.1
[M+CH3COO]- 619.22949 248.0
[M+Na-2H]- 581.19031 226.5
[M]+ 560.21509 228.5
[M]- 560.21619 228.5
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.