CID 483580

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-bromo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C22H38BrN3O8SSi2
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=C(C(=O)NC3=O)Br
InChI
InChI=1S/C22H38BrN3O8SSi2/c1-20(2,3)36(7,8)32-15-17(26-11-13(23)16(27)25-19(26)28)31-18(33-37(9,10)21(4,5)6)22(15)14(24)12-35(29,30)34-22/h11-12,15,17-18H,24H2,1-10H3,(H,25,27,28)/t15-,17+,18+,22?/m0/s1
InChIKey
HTQZHALWOWXJIC-OTQUSVLRSA-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-bromopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

639.11017 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.11745 218.8
[M+Na]+ 662.09939 228.2
[M-H]- 638.10289 227.3
[M+NH4]+ 657.14399 228.1
[M+K]+ 678.07333 221.7
[M+H-H2O]+ 622.10743 222.7
[M+HCOO]- 684.10837 222.7
[M+CH3COO]- 698.12402 249.4
[M+Na-2H]- 660.08484 226.0
[M]+ 639.10962 245.4
[M]- 639.11072 245.4
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.