CID 456103

3-[(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]-n-methyl-triazole-4-carboxamide

Structural Information

Molecular Formula
C23H43N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C(=CN=N3)C(=O)NC)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C23H43N5O7SSi2/c1-21(2,3)37(8,9)32-13-17-23(16(24)14-36(30,31)35-23)18(34-38(10,11)22(4,5)6)20(33-17)28-15(12-26-27-28)19(29)25-7/h12,14,17-18,20H,13,24H2,1-11H3,(H,25,29)/t17-,18+,20-,23?/m1/s1
InChIKey
UEKBWBOAQCIFMQ-MLYQTBBXSA-N
Compound name
3-[(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]-N-methyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

589.2422 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.24948 226.3
[M+Na]+ 612.23142 230.5
[M-H]- 588.23492 232.9
[M+NH4]+ 607.27602 234.1
[M+K]+ 628.20536 233.7
[M+H-H2O]+ 572.23946 225.4
[M+HCOO]- 634.24040 232.3
[M+CH3COO]- 648.25605 251.9
[M+Na-2H]- 610.21687 231.0
[M]+ 589.24165 235.9
[M]- 589.24275 235.9
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.