CID 199887

Brn 1659061

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21ClN2O2/c21-16-9-10-18(22-19(24)14-23-11-5-2-6-12-23)17(13-16)20(25)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,24)
InChIKey
AGHCYBDSJMYTAM-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.12915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 183.9
[M+Na]+ 379.11837 187.7
[M-H]- 355.12187 190.7
[M+NH4]+ 374.16297 194.8
[M+K]+ 395.09231 181.5
[M+H-H2O]+ 339.12641 174.1
[M+HCOO]- 401.12735 197.1
[M+CH3COO]- 415.14300 214.0
[M+Na-2H]- 377.10382 184.5
[M]+ 356.12860 181.2
[M]- 356.12970 181.2
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

patents stripe