CID 3063714

1-(2-(benzyl(cyclohexylmethyl)amino)ethyl)-1-methyl-piperidinium bromide

Structural Information

Molecular Formula
C22H37N2
SMILES
C[N+]1(CCCCC1)CCN(CC2CCCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H37N2/c1-24(16-9-4-10-17-24)18-15-23(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22/h2,5-6,11-12,22H,3-4,7-10,13-20H2,1H3/q+1
InChIKey
ZLGHFBBMXCNORP-UHFFFAOYSA-N
Compound name
N-benzyl-N-(cyclohexylmethyl)-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2957 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.30298 186.2
[M+Na]+ 352.28492 184.1
[M-H]- 328.28842 192.4
[M+NH4]+ 347.32952 199.3
[M+K]+ 368.25886 174.7
[M+H-H2O]+ 312.29296 177.6
[M+HCOO]- 374.29390 200.1
[M+CH3COO]- 388.30955 207.8
[M+Na-2H]- 350.27037 188.7
[M]+ 329.29515 176.2
[M]- 329.29625 176.2
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.