CID 51286

71266-43-8

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
CC1CC(CCN1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H20ClNO3/c1-14-13-20(11-12-22-14,18(23)15-7-3-2-4-8-15)25-19(24)16-9-5-6-10-17(16)21/h2-10,14,22H,11-13H2,1H3
InChIKey
YJBXBEVYMYKIAP-UHFFFAOYSA-N
Compound name
(4-benzoyl-2-methylpiperidin-4-yl) 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.11316 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 183.1
[M+Na]+ 380.10238 197.0
[M+NH4]+ 375.14698 191.8
[M+K]+ 396.07632 187.4
[M-H]- 356.10588 187.7
[M+Na-2H]- 378.08783 192.7
[M]+ 357.11261 186.8
[M]- 357.11371 186.8
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.