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 179.8
[M+Na]+ 362.13628 185.9
[M-H]- 338.13978 186.7
[M+NH4]+ 357.18088 190.8
[M+K]+ 378.11022 181.6
[M+H-H2O]+ 322.14432 170.1
[M+HCOO]- 384.14526 196.3
[M+CH3COO]- 398.16091 210.9
[M+Na-2H]- 360.12173 179.1
[M]+ 339.14651 178.3
[M]- 339.14761 178.3
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.