CID 56925

95521-12-3

Structural Information

Molecular Formula
C36H78N2O4Si2
SMILES
CCCC[Si](C)(CCCC)CCC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CCC[Si](C)(CCCC)CCCC
InChI
InChI=1S/C36H78N2O4Si2/c1-11-15-29-43(9,30-16-12-2)33-19-23-37(5,6)25-27-41-35(39)21-22-36(40)42-28-26-38(7,8)24-20-34-44(10,31-17-13-3)32-18-14-4/h11-34H2,1-10H3/q+2
InChIKey
RXBUZZZBDNEEEM-UHFFFAOYSA-N
Compound name
3-[dibutyl(methyl)silyl]propyl-[2-[4-[2-[3-[dibutyl(methyl)silyl]propyl-dimethylazaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

658.55 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.55728 282.2
[M+Na]+ 681.53922 287.4
[M-H]- 657.54272 281.7
[M+NH4]+ 676.58382 290.8
[M+K]+ 697.51316 289.7
[M+H-H2O]+ 641.54726 266.8
[M+HCOO]- 703.54820 295.9
[M+CH3COO]- 717.56385 268.9
[M+Na-2H]- 679.52467 266.0
[M]+ 658.54945 282.2
[M]- 658.55055 282.2
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.