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]+ 325.191056 179.0
[M+Na]+ 347.172998 182.0
[M-H]- 323.176504 185.4
[M+NH4]+ 342.217603 190.2
[M+K]+ 363.146938 177.1
[M+H-H2O]+ 307.181040 168.5
[M+HCOO]- 369.181981 197.0
[M+CH3COO]- 383.197631 209.7
[M+Na-2H]- 345.158446 180.2
[M]+ 324.18323142 174.1
[M]- 324.18432858 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.