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 212.7
[M+Na]+ 453.29076 215.6
[M-H]- 429.29426 215.8
[M+NH4]+ 448.33536 223.0
[M+K]+ 469.26470 200.6
[M+H-H2O]+ 413.29880 209.0
[M+HCOO]- 475.29974 227.6
[M+CH3COO]- 489.31539 222.8
[M+Na-2H]- 451.27621 220.1
[M]+ 430.30099 216.8
[M]- 430.30209 216.8
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.