CID 3011346

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-[3-(dimethylamino)propyl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C29H54N4O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCN(C)C)[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/C29H54N4O8SSi2/c1-20-17-33(26(35)32(24(20)34)16-14-15-31(8)9)25-23(40-44(12,13)28(5,6)7)29(21(30)19-42(36,37)41-29)22(39-25)18-38-43(10,11)27(2,3)4/h17,19,22-23,25H,14-16,18,30H2,1-13H3/t22-,23+,25-,29?/m1/s1
InChIKey
XEXUVQNZANTHAE-LHTBOPMYSA-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-[3-(dimethylamino)propyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

674.32007 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.32735 245.2
[M+Na]+ 697.30929 249.3
[M-H]- 673.31279 253.2
[M+NH4]+ 692.35389 250.0
[M+K]+ 713.28323 252.4
[M+H-H2O]+ 657.31733 242.8
[M+HCOO]- 719.31827 250.9
[M+CH3COO]- 733.33392 274.7
[M+Na-2H]- 695.29474 249.4
[M]+ 674.31952 259.0
[M]- 674.32062 259.0
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.