CID 493779

1-[(1r,3r,4r)-6-(allylamino)-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]-3,5-dimethyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C28H49N3O8SSi2
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)NCC=C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H49N3O8SSi2/c1-14-15-29-20-18-40(34,35)39-28(20)21(17-36-41(10,11)26(3,4)5)37-24(22(28)38-42(12,13)27(6,7)8)31-16-19(2)23(32)30(9)25(31)33/h14,16,18,21-22,24,29H,1,15,17H2,2-13H3/t21-,22+,24-,28?/m1/s1
InChIKey
CREIXPYZIPNVNX-YQRJVEMMSA-N
Compound name
1-[(6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-4-(prop-2-enylamino)-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 238.0
[M+Na]+ 666.26712 244.0
[M-H]- 642.27062 245.6
[M+NH4]+ 661.31172 244.1
[M+K]+ 682.24106 245.3
[M+H-H2O]+ 626.27516 236.1
[M+HCOO]- 688.27610 243.5
[M+CH3COO]- 702.29175 263.7
[M+Na-2H]- 664.25257 242.8
[M]+ 643.27735 251.5
[M]- 643.27845 251.5
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.