CID 3063275

100353-76-2

Structural Information

Molecular Formula
C22H31N2
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H31N2/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/h2-3,5-8,11-14H,4,9-10,15-20H2,1H3/q+1
InChIKey
NWEPJDUJZAMPES-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-2-(1-methylpiperidin-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.24872 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.255996 183.1
[M+Na]+ 346.237938 184.1
[M-H]- 322.241444 190.4
[M+NH4]+ 341.282543 196.6
[M+K]+ 362.211878 173.9
[M+H-H2O]+ 306.245980 174.5
[M+HCOO]- 368.246921 201.2
[M+CH3COO]- 382.262571 206.8
[M+Na-2H]- 344.223386 188.6
[M]+ 323.24817142 177.3
[M]- 323.24926858 177.3
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.