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]+ 340.154336 179.8
[M+Na]+ 362.136278 185.9
[M-H]- 338.139784 186.7
[M+NH4]+ 357.180883 190.8
[M+K]+ 378.110218 181.6
[M+H-H2O]+ 322.144320 170.1
[M+HCOO]- 384.145261 196.3
[M+CH3COO]- 398.160911 210.9
[M+Na-2H]- 360.121726 179.1
[M]+ 339.14651142 178.3
[M]- 339.14760858 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.