CID 10504596

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

Structural Information

Molecular Formula
C19H29N3O7SSi
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@]3(C(=C)O2)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C19H29N3O7SSi/c1-11-9-22(17(24)21(6)15(11)23)16-14(28-31(7,8)18(3,4)5)19(12(2)27-16)13(20)10-30(25,26)29-19/h9-10,14,16H,2,20H2,1,3-8H3/t14-,16+,19-/m0/s1
InChIKey
SXEHHAGGSVEQNA-GMBSWORKSA-N
Compound name
1-[(5S,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-2,2-dioxo-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

471.14954 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.15682 199.1
[M+Na]+ 494.13876 210.1
[M-H]- 470.14226 208.0
[M+NH4]+ 489.18336 211.5
[M+K]+ 510.11270 209.7
[M+H-H2O]+ 454.14680 196.7
[M+HCOO]- 516.14774 210.2
[M+CH3COO]- 530.16339 232.6
[M+Na-2H]- 492.12421 201.2
[M]+ 471.14899 208.5
[M]- 471.15009 208.5
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.