CID 3011332

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-benzyl-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C31H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2)[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/C31H49N3O8SSi2/c1-21-17-34(28(36)33(26(21)35)18-22-15-13-12-14-16-22)27-25(41-45(10,11)30(5,6)7)31(23(32)20-43(37,38)42-31)24(40-27)19-39-44(8,9)29(2,3)4/h12-17,20,24-25,27H,18-19,32H2,1-11H3/t24-,25+,27-,31?/m1/s1
InChIKey
GDUDOYNDZCGTDX-QTNVBSPMSA-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-benzyl-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

679.2779 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.28518 249.2
[M+Na]+ 702.26712 254.8
[M-H]- 678.27062 259.7
[M+NH4]+ 697.31172 253.1
[M+K]+ 718.24106 256.4
[M+H-H2O]+ 662.27516 245.2
[M+HCOO]- 724.27610 254.2
[M+CH3COO]- 738.29175 268.8
[M+Na-2H]- 700.25257 253.0
[M]+ 679.27735 260.9
[M]- 679.27845 260.9
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.