CID 3025130

1-(2-((cyclohexylmethyl)(p-methoxybenzyl)amino)ethyl)-1-methyl-piperidinium bromide

Structural Information

Molecular Formula
C23H39N2O
SMILES
C[N+]1(CCCCC1)CCN(CC2CCCCC2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H39N2O/c1-25(16-7-4-8-17-25)18-15-24(19-21-9-5-3-6-10-21)20-22-11-13-23(26-2)14-12-22/h11-14,21H,3-10,15-20H2,1-2H3/q+1
InChIKey
JSJIBNXHOIBMEU-UHFFFAOYSA-N
Compound name
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.30624 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.31352 193.9
[M+Na]+ 382.29546 192.2
[M-H]- 358.29896 200.3
[M+NH4]+ 377.34006 206.0
[M+K]+ 398.26940 183.1
[M+H-H2O]+ 342.30350 185.3
[M+HCOO]- 404.30444 207.6
[M+CH3COO]- 418.32009 213.8
[M+Na-2H]- 380.28091 195.4
[M]+ 359.30569 186.0
[M]- 359.30679 186.0
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.