CID 3044206

Q(sub 1)

Structural Information

Molecular Formula
C18H24ClN2O
SMILES
CC1=CC(=C2C=CC=C(C2=N1)Cl)OCC[N+]3(CCCCC3)C
InChI
InChI=1S/C18H24ClN2O/c1-14-13-17(15-7-6-8-16(19)18(15)20-14)22-12-11-21(2)9-4-3-5-10-21/h6-8,13H,3-5,9-12H2,1-2H3/q+1
InChIKey
SKVMXEBZBYYJOL-UHFFFAOYSA-N
Compound name
8-chloro-2-methyl-4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1577 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16498 176.0
[M+Na]+ 342.14692 183.0
[M-H]- 318.15042 179.8
[M+NH4]+ 337.19152 191.2
[M+K]+ 358.12086 171.3
[M+H-H2O]+ 302.15496 169.2
[M+HCOO]- 364.15590 186.7
[M+CH3COO]- 378.17155 200.0
[M+Na-2H]- 340.13237 182.3
[M]+ 319.15715 174.9
[M]- 319.15825 174.9
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.