CID 2724430

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

Structural Information

Molecular Formula
C20H24N2O2
SMILES
COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3
InChIKey
NPNNCHCGYDKUTA-UHFFFAOYSA-N
Compound name
methyl 4-anilino-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

324.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 178.9
[M+Na]+ 347.172998 182.0
[M-H]- 323.176504 185.8
[M+NH4]+ 342.217603 192.1
[M+K]+ 363.146938 177.9
[M+H-H2O]+ 307.181040 168.5
[M+HCOO]- 369.181981 197.6
[M+CH3COO]- 383.197631 208.6
[M+Na-2H]- 345.158446 182.8
[M]+ 324.18323142 174.9
[M]- 324.18432858 174.9
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