CID 45398

2-(phenyl-(p-tolyl)methoxy)-n-piperidinoethylamine hydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCCNN3CCCCC3
InChI
InChI=1S/C21H28N2O/c1-18-10-12-20(13-11-18)21(19-8-4-2-5-9-19)24-17-14-22-23-15-6-3-7-16-23/h2,4-5,8-13,21-22H,3,6-7,14-17H2,1H3
InChIKey
VEHXDGOPDFHDAU-UHFFFAOYSA-N
Compound name
N-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]piperidin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 179.9
[M+Na]+ 347.20937 181.2
[M-H]- 323.21287 186.1
[M+NH4]+ 342.25397 191.1
[M+K]+ 363.18331 176.3
[M+H-H2O]+ 307.21741 169.0
[M+HCOO]- 369.21835 197.7
[M+CH3COO]- 383.23400 211.3
[M+Na-2H]- 345.19482 182.3
[M]+ 324.21960 175.2
[M]- 324.22070 175.2
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.