CID 3087231

113611-76-0

Structural Information

Molecular Formula
C25H42N2O2Si
SMILES
CCC[Si](C)(CCC)CCC[N+](C)(C)CCOC(=O)C1=[N+](C2=CC=CC=C2C=C1)C
InChI
InChI=1S/C25H42N2O2Si/c1-7-19-30(6,20-8-2)21-11-16-27(4,5)17-18-29-25(28)24-15-14-22-12-9-10-13-23(22)26(24)3/h9-10,12-15H,7-8,11,16-21H2,1-6H3/q+2
InChIKey
NRBXSSOSEMDOHG-UHFFFAOYSA-N
Compound name
dimethyl-[3-[methyl(dipropyl)silyl]propyl]-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.30154 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.30882 206.3
[M+Na]+ 453.29076 220.7
[M+NH4]+ 448.33536 214.5
[M+K]+ 469.26470 213.9
[M-H]- 429.29426 211.2
[M+Na-2H]- 451.27621 212.3
[M]+ 430.30099 210.7
[M]- 430.30209 210.7
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.