CID 214545

33422-53-6

Structural Information

Molecular Formula
C20H21NO4
SMILES
CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H21NO4/c1-21-13-5-12-20(14-21,18(23)15-6-3-2-4-7-15)25-19(24)16-8-10-17(22)11-9-16/h2-4,6-11,22H,5,12-14H2,1H3
InChIKey
IZJBOFBEUVFKHN-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-methylpiperidin-3-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 193.1
[M+NH4]+ 357.18088 188.4
[M+K]+ 378.11022 184.9
[M-H]- 338.13978 184.6
[M+Na-2H]- 360.12173 189.6
[M]+ 339.14651 183.5
[M]- 339.14761 183.5
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.