CID 10348139

Chembl437717

Structural Information

Molecular Formula
C22H41N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C(=CN=N3)C(=O)N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C22H41N5O7SSi2/c1-20(2,3)36(7,8)31-12-16-22(15(23)13-35(29,30)34-22)17(33-37(9,10)21(4,5)6)19(32-16)27-14(18(24)28)11-25-26-27/h11,13,16-17,19H,12,23H2,1-10H3,(H2,24,28)/t16-,17+,19-,22-/m1/s1
InChIKey
MJQIHSQWSVBLDS-ZRAXVTTISA-N
Compound name
3-[(5R,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]triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

575.2265 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.23378 222.5
[M+Na]+ 598.21572 227.0
[M-H]- 574.21922 228.7
[M+NH4]+ 593.26032 230.5
[M+K]+ 614.18966 230.0
[M+H-H2O]+ 558.22376 221.6
[M+HCOO]- 620.22470 228.1
[M+CH3COO]- 634.24035 249.5
[M+Na-2H]- 596.20117 226.6
[M]+ 575.22595 230.9
[M]- 575.22705 230.9
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.