CID 3025128

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

Structural Information

Molecular Formula
C22H37N2O
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=C(C=C2)OC)C3CCCCC3
InChI
InChI=1S/C22H37N2O/c1-24(16-7-4-8-17-24)18-15-23(21-9-5-3-6-10-21)19-20-11-13-22(25-2)14-12-20/h11-14,21H,3-10,15-19H2,1-2H3/q+1
InChIKey
KYJQEXSCUADXBN-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.2906 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.29788 189.5
[M+Na]+ 368.27982 188.3
[M-H]- 344.28332 196.1
[M+NH4]+ 363.32442 202.2
[M+K]+ 384.25376 179.4
[M+H-H2O]+ 328.28786 181.1
[M+HCOO]- 390.28880 203.6
[M+CH3COO]- 404.30445 210.8
[M+Na-2H]- 366.26527 191.5
[M]+ 345.29005 181.3
[M]- 345.29115 181.3
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.