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 201.0
[M+Na]+ 448.13982 202.6
[M-H]- 424.14332 207.6
[M+NH4]+ 443.18442 208.5
[M+K]+ 464.11376 196.9
[M+H-H2O]+ 408.14786 191.1
[M+HCOO]- 470.14880 213.1
[M+CH3COO]- 484.16445 228.7
[M+Na-2H]- 446.12527 198.8
[M]+ 425.15005 197.6
[M]- 425.15115 197.6
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.