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]+ 386.159806 189.4
[M+Na]+ 408.141748 195.4
[M-H]- 384.145254 196.4
[M+NH4]+ 403.186353 198.5
[M+K]+ 424.115688 192.6
[M+H-H2O]+ 368.149790 179.2
[M+HCOO]- 430.150731 205.8
[M+CH3COO]- 444.166381 219.7
[M+Na-2H]- 406.127196 187.8
[M]+ 385.15198142 191.5
[M]- 385.15307858 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.