CID 3064314

Piperidine, 1-(2-(n-p-methoxybenzylanilino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
COC1=CC=C(C=C1)CN(CCN2CCCCC2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2O/c1-24-21-12-10-19(11-13-21)18-23(20-8-4-2-5-9-20)17-16-22-14-6-3-7-15-22/h2,4-5,8-13H,3,6-7,14-18H2,1H3
InChIKey
QGPUMVNTXQJVAC-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 180.2
[M+Na]+ 347.20937 181.9
[M-H]- 323.21287 187.7
[M+NH4]+ 342.25397 192.0
[M+K]+ 363.18331 177.9
[M+H-H2O]+ 307.21741 168.9
[M+HCOO]- 369.21835 199.5
[M+CH3COO]- 383.23400 213.8
[M+Na-2H]- 345.19482 182.9
[M]+ 324.21960 177.3
[M]- 324.22070 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.