CID 781134

(e)-n-(2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)benzamide

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1CCN(CC1)C(=O)/C(=C\C2=CC=CC=C2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N2O2/c24-20(18-12-6-2-7-13-18)22-19(16-17-10-4-1-5-11-17)21(25)23-14-8-3-9-15-23/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,22,24)/b19-16+
InChIKey
BFADWOIEUIYQFR-KNTRCKAVSA-N
Compound name
N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

334.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 180.8
[M+Na]+ 357.15734 181.5
[M-H]- 333.16084 187.0
[M+NH4]+ 352.20194 190.9
[M+K]+ 373.13128 176.7
[M+H-H2O]+ 317.16538 170.2
[M+HCOO]- 379.16632 197.4
[M+CH3COO]- 393.18197 209.9
[M+Na-2H]- 355.14279 181.7
[M]+ 334.16757 173.7
[M]- 334.16867 173.7
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.