CID 214547

33422-54-7

Structural Information

Molecular Formula
C21H23NO4
SMILES
CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23NO4/c1-22-14-6-13-21(15-22,19(23)16-7-4-3-5-8-16)26-20(24)17-9-11-18(25-2)12-10-17/h3-5,7-12H,6,13-15H2,1-2H3
InChIKey
GRJONUUQNSCTLE-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-methylpiperidin-3-yl) 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17000 184.4
[M+Na]+ 376.15194 197.2
[M+NH4]+ 371.19654 192.4
[M+K]+ 392.12588 188.6
[M-H]- 352.15544 188.9
[M+Na-2H]- 374.13739 193.8
[M]+ 353.16217 187.6
[M]- 353.16327 187.6
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.