CID 51287

71266-44-9

Structural Information

Molecular Formula
C20H20BrNO3
SMILES
CC1CC(CCN1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C20H20BrNO3/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
MFDWVMPDLWOZFC-UHFFFAOYSA-N
Compound name
(4-benzoyl-2-methylpiperidin-4-yl) 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.06265 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.06993 183.6
[M+Na]+ 424.05187 186.7
[M+NH4]+ 419.09647 188.1
[M+K]+ 440.02581 184.5
[M-H]- 400.05537 186.1
[M+Na-2H]- 422.03732 189.0
[M]+ 401.06210 183.6
[M]- 401.06320 183.6
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.