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]+ 324.25600 183.1
[M+Na]+ 346.23794 184.1
[M-H]- 322.24144 190.4
[M+NH4]+ 341.28254 196.6
[M+K]+ 362.21188 173.9
[M+H-H2O]+ 306.24598 174.5
[M+HCOO]- 368.24692 201.2
[M+CH3COO]- 382.26257 206.8
[M+Na-2H]- 344.22339 188.6
[M]+ 323.24817 177.3
[M]- 323.24927 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.