CID 4327966

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

Structural Information

Molecular Formula
C21H23NO6
SMILES
COC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C21H23NO6/c1-26-15-7-5-14(6-8-15)22-19(23)11-9-16(21(24)25)20(22)13-4-10-17(27-2)18(12-13)28-3/h4-8,10,12,16,20H,9,11H2,1-3H3,(H,24,25)
InChIKey
HBZSNPJHTRNXPY-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

385.15253 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.15981 189.4
[M+Na]+ 408.14175 195.4
[M-H]- 384.14525 196.4
[M+NH4]+ 403.18635 198.5
[M+K]+ 424.11569 192.6
[M+H-H2O]+ 368.14979 179.2
[M+HCOO]- 430.15073 205.8
[M+CH3COO]- 444.16638 219.7
[M+Na-2H]- 406.12720 187.8
[M]+ 385.15198 191.5
[M]- 385.15308 191.5
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

No patent data available for this compound.