CID 67605677

N-triethoxysilylpropylquinineurethane

Structural Information

Molecular Formula
C30H45N3O6Si
SMILES
CCO[Si](CCCNC(=O)O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)C3=C4C=C(C=CC4=NC=C3)OC)(OCC)OCC
InChI
InChI=1S/C30H45N3O6Si/c1-6-22-21-33-17-14-23(22)19-28(33)29(25-13-16-31-27-12-11-24(35-5)20-26(25)27)39-30(34)32-15-10-18-40(36-7-2,37-8-3)38-9-4/h6,11-13,16,20,22-23,28-29H,1,7-10,14-15,17-19,21H2,2-5H3,(H,32,34)/t22-,23-,28-,29+/m0/s1
InChIKey
OPUSDOAPKSTTEF-VHRRBUMHSA-N
Compound name
[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] N-(3-triethoxysilylpropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

571.30774 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.31502 233.0
[M+Na]+ 594.29696 239.6
[M+NH4]+ 589.34156 237.6
[M+K]+ 610.27090 233.2
[M-H]- 570.30046 230.2
[M+Na-2H]- 592.28241 227.7
[M]+ 571.30719 232.8
[M]- 571.30829 232.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.