CID 13772099

1-benzyl-6-oxo-2-phenylpiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C19H19NO3
SMILES
C1CC(=O)N(C(C1C(=O)O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H19NO3/c21-17-12-11-16(19(22)23)18(15-9-5-2-6-10-15)20(17)13-14-7-3-1-4-8-14/h1-10,16,18H,11-13H2,(H,22,23)
InChIKey
OKFLMULEFDZLKG-UHFFFAOYSA-N
Compound name
1-benzyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14378 173.8
[M+Na]+ 332.12572 187.6
[M+NH4]+ 327.17032 181.1
[M+K]+ 348.09966 180.1
[M-H]- 308.12922 178.7
[M+Na-2H]- 330.11117 182.0
[M]+ 309.13595 177.0
[M]- 309.13705 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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