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 179.0
[M+Na]+ 347.17300 182.0
[M-H]- 323.17650 185.4
[M+NH4]+ 342.21760 190.2
[M+K]+ 363.14694 177.1
[M+H-H2O]+ 307.18104 168.5
[M+HCOO]- 369.18198 197.0
[M+CH3COO]- 383.19763 209.7
[M+Na-2H]- 345.15845 180.2
[M]+ 324.18323 174.1
[M]- 324.18433 174.1
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.