CID 6434419

(e)-4-(acetylamino)-n-(2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)ethenyl)benzamide

Structural Information

Molecular Formula
C23H24ClN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)N3CCCCC3
InChI
InChI=1S/C23H24ClN3O3/c1-16(28)25-20-11-7-18(8-12-20)22(29)26-21(15-17-5-9-19(24)10-6-17)23(30)27-13-3-2-4-14-27/h5-12,15H,2-4,13-14H2,1H3,(H,25,28)(H,26,29)/b21-15+
InChIKey
BTVDCVWGLQHVPB-RCCKNPSSSA-N
Compound name
4-acetamido-N-[(E)-1-(4-chlorophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.1506 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15788 200.4
[M+Na]+ 448.13982 210.8
[M+NH4]+ 443.18442 205.6
[M+K]+ 464.11376 204.3
[M-H]- 424.14332 204.9
[M+Na-2H]- 446.12527 206.8
[M]+ 425.15005 203.0
[M]- 425.15115 203.0
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.