CID 3002788

(e)-n-(1-chloro-1-(4-chlorophenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide

Structural Information

Molecular Formula
C21H20Cl2N2O2
SMILES
C1CCN(CC1)C(=O)/C(=C(/C2=CC=C(C=C2)Cl)\Cl)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H20Cl2N2O2/c22-17-11-9-15(10-12-17)18(23)19(21(27)25-13-5-2-6-14-25)24-20(26)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-14H2,(H,24,26)/b19-18+
InChIKey
DHAVJBXSFFXUOZ-VHEBQXMUSA-N
Compound name
N-[(E)-1-chloro-1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.09018 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09746 191.3
[M+Na]+ 425.07940 194.1
[M-H]- 401.08290 197.1
[M+NH4]+ 420.12400 200.5
[M+K]+ 441.05334 187.2
[M+H-H2O]+ 385.08744 182.4
[M+HCOO]- 447.08838 197.6
[M+CH3COO]- 461.10403 219.5
[M+Na-2H]- 423.06485 189.4
[M]+ 402.08963 188.4
[M]- 402.09073 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.