CID 3011338

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-(cyclopropylmethyl)-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC2CC2)[C@H]3[C@@H](C4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H49N3O8SSi2/c1-18-14-31(25(33)30(23(18)32)15-19-12-13-19)24-22(38-42(10,11)27(5,6)7)28(20(29)17-40(34,35)39-28)21(37-24)16-36-41(8,9)26(2,3)4/h14,17,19,21-22,24H,12-13,15-16,29H2,1-11H3/t21-,22+,24-,28?/m1/s1
InChIKey
VUNSNBIXBRGLRJ-YQRJVEMMSA-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-(cyclopropylmethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

643.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.28518 235.1
[M+Na]+ 666.26712 241.5
[M-H]- 642.27062 245.0
[M+NH4]+ 661.31172 236.5
[M+K]+ 682.24106 242.3
[M+H-H2O]+ 626.27516 234.4
[M+HCOO]- 688.27610 238.9
[M+CH3COO]- 702.29175 262.3
[M+Na-2H]- 664.25257 238.6
[M]+ 643.27735 249.6
[M]- 643.27845 249.6
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.