CID 51289

Benzoic acid, 4-methoxy-, 4-benzoyl-1-methyl-4-piperidinyl ester, conjugate monoacid

Structural Information

Molecular Formula
C21H23NO4
SMILES
CN1CCC(CC1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H23NO4/c1-22-14-12-21(13-15-22,19(23)16-6-4-3-5-7-16)26-20(24)17-8-10-18(25-2)11-9-17/h3-11H,12-15H2,1-2H3
InChIKey
QOOIJUNFTXNIRW-UHFFFAOYSA-N
Compound name
(4-benzoyl-1-methylpiperidin-4-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 184.7
[M+Na]+ 376.15194 188.8
[M-H]- 352.15544 192.0
[M+NH4]+ 371.19654 197.0
[M+K]+ 392.12588 185.9
[M+H-H2O]+ 336.15998 174.5
[M+HCOO]- 398.16092 201.4
[M+CH3COO]- 412.17657 212.1
[M+Na-2H]- 374.13739 185.9
[M]+ 353.16217 183.7
[M]- 353.16327 183.7
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.