CID 3011340

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

Structural Information

Molecular Formula
C26H46BrN3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCBr)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C26H46BrN3O8SSi2/c1-17-14-30(23(32)29(13-12-27)21(17)31)22-20(37-41(10,11)25(5,6)7)26(18(28)16-39(33,34)38-26)19(36-22)15-35-40(8,9)24(2,3)4/h14,16,19-20,22H,12-13,15,28H2,1-11H3/t19-,20+,22-,26?/m1/s1
InChIKey
FWHRECABAAMTSI-SACATOBUSA-N
Compound name
1-[(6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3-(2-bromoethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

695.1727 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.17998 232.6
[M+Na]+ 718.16192 241.4
[M-H]- 694.16542 242.0
[M+NH4]+ 713.20652 240.6
[M+K]+ 734.13586 235.2
[M+H-H2O]+ 678.16996 236.0
[M+HCOO]- 740.17090 236.6
[M+CH3COO]- 754.18655 262.7
[M+Na-2H]- 716.14737 238.4
[M]+ 695.17215 262.2
[M]- 695.17325 262.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.