CID 8944

Anileridine

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CCC2=CC=C(C=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
InChIKey
LKYQLAWMNBFNJT-UHFFFAOYSA-N
Compound name
ethyl 1-[2-(4-aminophenyl)ethyl]-4-phenylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

56
References

12885
Patents

352.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 188.8
[M+Na]+ 375.20432 201.2
[M+NH4]+ 370.24892 197.6
[M+K]+ 391.17826 191.0
[M-H]- 351.20782 194.8
[M+Na-2H]- 373.18977 198.4
[M]+ 352.21455 192.4
[M]- 352.21565 192.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe