CID 203095

Brn 0327208

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-9-5-3-6-10-19)13-16-24(17-14-22)18-15-23-20-11-7-4-8-12-20/h3-12,23H,2,13-18H2,1H3
InChIKey
YJESBDXQZRYQFI-UHFFFAOYSA-N
Compound name
ethyl 1-(2-anilinoethyl)-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 189.0
[M+Na]+ 375.20432 201.3
[M+NH4]+ 370.24892 197.9
[M+K]+ 391.17826 190.7
[M-H]- 351.20782 195.1
[M+Na-2H]- 373.18977 199.2
[M]+ 352.21455 192.6
[M]- 352.21565 192.6
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.