CID 3054181

1-(2-hydroxyethyl)-1-methylpiperidinium bromide o-(pentyloxy)carbanilate

Structural Information

Molecular Formula
C20H33N2O3
SMILES
CCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)C
InChI
InChI=1S/C20H32N2O3/c1-3-4-10-16-24-19-12-7-6-11-18(19)21-20(23)25-17-15-22(2)13-8-5-9-14-22/h6-7,11-12H,3-5,8-10,13-17H2,1-2H3/p+1
InChIKey
VIQDGHKABSSQCN-UHFFFAOYSA-O
Compound name
2-(1-methylpiperidin-1-ium-1-yl)ethyl N-(2-pentoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2491 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.25638 186.6
[M+Na]+ 372.23832 198.1
[M+NH4]+ 367.28292 195.4
[M+K]+ 388.21226 189.2
[M-H]- 348.24182 191.3
[M+Na-2H]- 370.22377 194.0
[M]+ 349.24855 189.8
[M]- 349.24965 189.8
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.