CID 3060693

78219-62-2

Structural Information

Molecular Formula
C20H24N2O2
SMILES
C1CN(CCC1OC(=O)C2=CC=C(C=C2)N)CCC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O2/c21-18-8-6-17(7-9-18)20(23)24-19-11-14-22(15-12-19)13-10-16-4-2-1-3-5-16/h1-9,19H,10-15,21H2
InChIKey
UYRDSLHSJAYIIU-UHFFFAOYSA-N
Compound name
[1-(2-phenylethyl)piperidin-4-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 180.3
[M+Na]+ 347.17300 193.0
[M+NH4]+ 342.21760 188.0
[M+K]+ 363.14694 184.9
[M-H]- 323.17650 186.4
[M+Na-2H]- 345.15845 188.9
[M]+ 324.18323 183.7
[M]- 324.18433 183.7
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.