CID 199493

1-(2-(diphenylamino)ethyl)-1-methylpiperidinium bromide

Structural Information

Molecular Formula
C20H27N2
SMILES
C[N+]1(CCCCC1)CCN(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N2/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3/q+1
InChIKey
NLZPIOVHCSIGLO-UHFFFAOYSA-N
Compound name
N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.21744 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22472 174.1
[M+Na]+ 318.20666 176.0
[M-H]- 294.21016 181.9
[M+NH4]+ 313.25126 188.8
[M+K]+ 334.18060 166.3
[M+H-H2O]+ 278.21470 165.9
[M+HCOO]- 340.21564 192.9
[M+CH3COO]- 354.23129 200.9
[M+Na-2H]- 316.19211 180.7
[M]+ 295.21689 167.7
[M]- 295.21799 167.7
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.