CID 781134

38879-55-9

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]+ 335.175396 180.8
[M+Na]+ 357.157338 181.5
[M-H]- 333.160844 187.0
[M+NH4]+ 352.201943 190.9
[M+K]+ 373.131278 176.7
[M+H-H2O]+ 317.165380 170.2
[M+HCOO]- 379.166321 197.4
[M+CH3COO]- 393.181971 209.9
[M+Na-2H]- 355.142786 181.7
[M]+ 334.16757142 173.7
[M]- 334.16866858 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.