CID 51288

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

Structural Information

Molecular Formula
C20H21NO4
SMILES
CN1CCC(CC1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H21NO4/c1-21-13-11-20(12-14-21,18(23)15-5-3-2-4-6-15)25-19(24)16-7-9-17(22)10-8-16/h2-10,22H,11-14H2,1H3
InChIKey
BSOTULPVEJNLOJ-UHFFFAOYSA-N
Compound name
(4-benzoyl-1-methylpiperidin-4-yl) 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.6
[M+Na]+ 362.13628 184.8
[M-H]- 338.13978 186.8
[M+NH4]+ 357.18088 192.8
[M+K]+ 378.11022 181.3
[M+H-H2O]+ 322.14432 171.1
[M+HCOO]- 384.14526 196.3
[M+CH3COO]- 398.16091 206.8
[M+Na-2H]- 360.12173 182.0
[M]+ 339.14651 177.5
[M]- 339.14761 177.5
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.