CID 3017395

Ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-2-25-20(24)21(22-19-11-7-4-8-12-19)13-15-23(16-14-21)17-18-9-5-3-6-10-18/h3-12,22H,2,13-17H2,1H3
InChIKey
CPDREELMVQAIKC-UHFFFAOYSA-N
Compound name
ethyl 4-anilino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

338.19943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 183.3
[M+Na]+ 361.188648 185.9
[M-H]- 337.192154 189.9
[M+NH4]+ 356.233253 195.8
[M+K]+ 377.162588 181.5
[M+H-H2O]+ 321.196690 172.6
[M+HCOO]- 383.197631 201.5
[M+CH3COO]- 397.213281 211.5
[M+Na-2H]- 359.174096 186.6
[M]+ 338.19888142 179.6
[M]- 338.19997858 179.6
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