CID 16206221

1-(2-(n-benzyl-p-anisidino)ethyl)-1-methyl-piperidinium iodide ethanol

Structural Information

Molecular Formula
C22H31N2O
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H31N2O/c1-24(16-7-4-8-17-24)18-15-23(19-20-9-5-3-6-10-20)21-11-13-22(25-2)14-12-21/h3,5-6,9-14H,4,7-8,15-19H2,1-2H3/q+1
InChIKey
UECFYKITFBAVKH-UHFFFAOYSA-N
Compound name
N-benzyl-4-methoxy-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.24365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.25093 186.5
[M+Na]+ 362.23287 188.4
[M-H]- 338.23637 194.3
[M+NH4]+ 357.27747 199.6
[M+K]+ 378.20681 178.8
[M+H-H2O]+ 322.24091 178.0
[M+HCOO]- 384.24185 204.8
[M+CH3COO]- 398.25750 209.7
[M+Na-2H]- 360.21832 191.5
[M]+ 339.24310 182.5
[M]- 339.24420 182.5
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.