CID 5896580

4-acetamidochalcone

Structural Information

Molecular Formula
C17H15NO2
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H15NO2/c1-13(19)18-16-10-7-14(8-11-16)9-12-17(20)15-5-3-2-4-6-15/h2-12H,1H3,(H,18,19)/b12-9+
InChIKey
MJYUMWOKEJNYEM-FMIVXFBMSA-N
Compound name
N-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

265.1103 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 161.6
[M+Na]+ 288.09952 167.3
[M-H]- 264.10302 168.0
[M+NH4]+ 283.14412 177.3
[M+K]+ 304.07346 163.0
[M+H-H2O]+ 248.10756 153.6
[M+HCOO]- 310.10850 185.1
[M+CH3COO]- 324.12415 199.0
[M+Na-2H]- 286.08497 165.3
[M]+ 265.10975 160.7
[M]- 265.11085 160.7
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.