CID 36465

33422-49-0

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
CN1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H20ClNO3/c1-22-13-7-12-20(14-22,18(23)15-8-3-2-4-9-15)25-19(24)16-10-5-6-11-17(16)21/h2-6,8-11H,7,12-14H2,1H3
InChIKey
HQDPTTOPIJNHQI-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-methylpiperidin-3-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 182.7
[M+Na]+ 380.10238 188.3
[M-H]- 356.10588 190.1
[M+NH4]+ 375.14698 195.9
[M+K]+ 396.07632 183.2
[M+H-H2O]+ 340.11042 173.5
[M+HCOO]- 402.11136 195.2
[M+CH3COO]- 416.12701 210.6
[M+Na-2H]- 378.08783 183.9
[M]+ 357.11261 182.3
[M]- 357.11371 182.3
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.