CID 16074570

Chembl212868

Structural Information

Molecular Formula
C25H45N5O8SSi2
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N=C(N)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C25H45N5O8SSi2/c1-15-12-30(22(32)29-19(15)31)20-18(37-41(10,11)24(5,6)7)25(16(28-21(26)27)14-39(33,34)38-25)17(36-20)13-35-40(8,9)23(2,3)4/h12,14,17-18,20H,13H2,1-11H3,(H4,26,27,28)(H,29,31,32)/t17-,18+,20-,25-/m1/s1
InChIKey
IMWUOEGBNSIZDY-MHDHIAOQSA-N
Compound name
2-[(5R,6R,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

631.25275 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.26003 235.0
[M+Na]+ 654.24197 239.0
[M-H]- 630.24547 241.5
[M+NH4]+ 649.28657 239.9
[M+K]+ 670.21591 241.2
[M+H-H2O]+ 614.25001 232.8
[M+HCOO]- 676.25095 241.0
[M+CH3COO]- 690.26660 264.5
[M+Na-2H]- 652.22742 232.7
[M]+ 631.25220 243.0
[M]- 631.25330 243.0
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.