CID 10416201

Chembl3143127

Structural Information

Molecular Formula
C24H45N5O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@]2([C@H]([C@@H](O1)N3C=C(N=N3)C(=O)N(C)C)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C24H45N5O7SSi2/c1-22(2,3)38(9,10)33-14-18-24(17(25)15-37(31,32)36-24)19(35-39(11,12)23(4,5)6)21(34-18)29-13-16(26-27-29)20(30)28(7)8/h13,15,18-19,21H,14,25H2,1-12H3/t18-,19+,21-,24-/m1/s1
InChIKey
VYIHKFAUVVXHQO-RRZZWSPOSA-N
Compound name
1-[(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]-N,N-dimethyltriazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

603.2578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.26508 228.1
[M+Na]+ 626.24702 232.0
[M-H]- 602.25052 235.9
[M+NH4]+ 621.29162 236.0
[M+K]+ 642.22096 236.4
[M+H-H2O]+ 586.25506 227.3
[M+HCOO]- 648.25600 234.3
[M+CH3COO]- 662.27165 257.4
[M+Na-2H]- 624.23247 232.1
[M]+ 603.25725 239.2
[M]- 603.25835 239.2
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.