CID 3064169

1-(2-(n-benzylanilino)ethyl)-1-methyl-piperidinium bromide

Structural Information

Molecular Formula
C21H29N2
SMILES
C[N+]1(CCCCC1)CCN(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H29N2/c1-23(16-9-4-10-17-23)18-15-22(21-13-7-3-8-14-21)19-20-11-5-2-6-12-20/h2-3,5-8,11-14H,4,9-10,15-19H2,1H3/q+1
InChIKey
RFHYRCWMFSTLRE-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.23306 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.24034 178.6
[M+Na]+ 332.22228 180.0
[M-H]- 308.22578 186.2
[M+NH4]+ 327.26688 192.7
[M+K]+ 348.19622 170.1
[M+H-H2O]+ 292.23032 170.2
[M+HCOO]- 354.23126 197.1
[M+CH3COO]- 368.24691 203.8
[M+Na-2H]- 330.20773 184.7
[M]+ 309.23251 172.5
[M]- 309.23361 172.5
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.