CID 87824

3,5-dioxa-8-aza-4-siladecan-1-amine, 4-(2-(diethylamino)ethoxy)-n,n,8-triethyl-4-octadecyl-, hydrochloride (1:3)

Structural Information

Molecular Formula
C36H79N3O3Si
SMILES
CCCCCCCCCCCCCCCCCC[Si](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC
InChI
InChI=1S/C36H79N3O3Si/c1-8-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-36-43(40-33-30-37(9-2)10-3,41-34-31-38(11-4)12-5)42-35-32-39(13-6)14-7/h8-36H2,1-7H3
InChIKey
AUOHPMHKGBORIV-UHFFFAOYSA-N
Compound name
2-[bis[2-(diethylamino)ethoxy]-octadecylsilyl]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

629.58905 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.59633 286.8
[M+Na]+ 652.57827 297.6
[M-H]- 628.58177 280.1
[M+NH4]+ 647.62287 294.4
[M+K]+ 668.55221 298.8
[M+H-H2O]+ 612.58631 285.9
[M+HCOO]- 674.58725 287.7
[M+CH3COO]- 688.60290 288.4
[M+Na-2H]- 650.56372 270.5
[M]+ 629.58850 285.1
[M]- 629.58960 285.1
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.