CID 3817327

2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C20H21NO4/c1-13-3-7-15(8-4-13)21-18(22)12-11-17(20(23)24)19(21)14-5-9-16(25-2)10-6-14/h3-10,17,19H,11-12H2,1-2H3,(H,23,24)
InChIKey
WUXFDDOWIRXNME-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.8
[M+Na]+ 362.13628 194.6
[M+NH4]+ 357.18088 187.3
[M+K]+ 378.11022 187.9
[M-H]- 338.13978 185.3
[M+Na-2H]- 360.12173 187.9
[M]+ 339.14651 183.9
[M]- 339.14761 183.9
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.