CID 3052805

1-(2-hydroxyethyl)-1-propylpiperidinium bromide o-(heptyloxy)carbanilate

Structural Information

Molecular Formula
C24H41N2O3
SMILES
CCCCCCCOC1=CC=CC=C1NC(=O)OCC[N+]2(CCCCC2)CCC
InChI
InChI=1S/C24H40N2O3/c1-3-5-6-7-13-20-28-23-15-10-9-14-22(23)25-24(27)29-21-19-26(16-4-2)17-11-8-12-18-26/h9-10,14-15H,3-8,11-13,16-21H2,1-2H3/p+1
InChIKey
IDWRRFXGWJWNGJ-UHFFFAOYSA-O
Compound name
2-(1-propylpiperidin-1-ium-1-yl)ethyl N-(2-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.3117 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.31898 204.3
[M+Na]+ 428.30092 214.9
[M+NH4]+ 423.34552 212.4
[M+K]+ 444.27486 205.1
[M-H]- 404.30442 208.7
[M+Na-2H]- 426.28637 210.6
[M]+ 405.31115 207.3
[M]- 405.31225 207.3
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.